benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate

C110H105Cl5N5O25P5 — CID 161093827

IUPACbenzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate
SMILESC[C@H](NP(=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1Cl)C(=O)OCc1ccccc1.C[C@H](N[P@@](=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1ccccc1Cl)C(=O)OCc1ccccc1
InChIInChI=1S/5C22H21ClNO5P/c2*1-17(22(25)27-16-18-10-4-2-5-11-18)24-30(26,28-19-12-6-3-7-13-19)29-21-15-9-8-14-20(21)23;3*1-17(22(25)27-16-18-8-4-2-5-9-18)24-30(26,28-20-10-6-3-7-11-20)29-21-14-12-19(23)13-15-21/h5*2-15,17H,16H2,1H3,(H,24,26)/t17-,30?;17-,30-;17-,30?;17-,30+;17-,30-/m00000/s1
InChIKeyUHNHABBRLGYRPG-PVPAOUHSSA-N
MW2229.19 g/mol
LogP28.14
Rot. Bonds45

About benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate

benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate (PubChem CID 161093827) has the molecular formula C110H105Cl5N5O25P5 and a molecular weight of 2229.19 g/mol. Its IUPAC name is benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate
PubChem CID161093827
Molecular FormulaC110H105Cl5N5O25P5
Molecular Weight2229.19 g/mol
Exact Mass2225.42
IUPAC Namebenzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate
SMILESC[C@H](NP(=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1Cl)C(=O)OCc1ccccc1.C[C@H](N[P@@](=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1ccccc1Cl)C(=O)OCc1ccccc1
InChIInChI=1S/5C22H21ClNO5P/c2*1-17(22(25)27-16-18-10-4-2-5-11-18)24-30(26,28-19-12-6-3-7-13-19)29-21-15-9-8-14-20(21)23;3*1-17(22(25)27-16-18-8-4-2-5-9-18)24-30(26,28-20-10-6-3-7-11-20)29-21-14-12-19(23)13-15-21/h5*2-15,17H,16H2,1H3,(H,24,26)/t17-,30?;17-,30-;17-,30?;17-,30+;17-,30-/m00000/s1
InChIKeyUHNHABBRLGYRPG-PVPAOUHSSA-N
XLogP28.14
TPSA369.30 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds45
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002229.19
LogP ≤ 528.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate with MolForge

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Related Compounds

benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
CID 146653962
benzyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 129234873
benzyl (2S)-2-[[iodo(phenoxy)phosphoryl]amino]propanoate
CID 145274356
benzyl (2S)-2-[[[2-chloro-6-(trifluoromethyl)phenoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 146655074
benzyl (2S)-2-[[chloro-(4-methylphenoxy)phosphoryl]amino]propanoate
CID 155759130
benzyl (2S)-2-[[[4-chloro-2-(trifluoromethyl)phenoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 146655073
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
2-methylpropyl 2-[[chloro-(2-chlorophenoxy)phosphoryl]amino]propanoate
CID 123543136
benzyl (2S)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate
CID 139452803
benzyl (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
CID 118314714
benzyl (2S)-2-[[[2-chloro-4-(trifluoromethyl)phenoxy]-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[[2-chloro-6-(trifluoromethyl)phenoxy]-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[[4-chloro-2-(trifluoromethyl)phenoxy]-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-iodo-6-methylphenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-iodo-2-methylphenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[[2-iodo-4-(trifluoromethyl)phenoxy]-phenoxyphosphoryl]amino]propanoate
CID 157472549

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate (CID 161093827) is benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate is C[C@H](NP(=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1Cl)C(=O)OCc1ccccc1.C[C@H](N[P@@](=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1ccccc1Cl)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate?
The InChIKey is UHNHABBRLGYRPG-PVPAOUHSSA-N. The full InChI is InChI=1S/5C22H21ClNO5P/c2*1-17(22(25)27-16-18-10-4-2-5-11-18)24-30(26,28-19-12-6-3-7-13-19)29-21-15-9-8-14-20(21)23;3*1-17(22(25)27-16-18-8-4-2-5-9-18)24-30(26,28-20-10-6-3-7-11-20)29-21-14-12-19(23)13-15-21/h5*2-15,17H,16H2,1H3,(H,24,26)/t17-,30?;17-,30-;17-,30?;17-,30+;17-,30-/m00000/s1.
What are the key properties of benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate?
benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate has a molecular weight of 2229.19 g/mol, XLogP of 28.14, 45 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 161093827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).