benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate

C19H17ClNO3P — CID 138719228

IUPACbenzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate
SMILESO=C(CNP(Cl)Oc1cccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H17ClNO3P/c20-25(21-13-19(22)23-14-15-7-2-1-3-8-15)24-18-12-6-10-16-9-4-5-11-17(16)18/h1-12,21H,13-14H2
InChIKeyZLVRQCGYUQMCRN-UHFFFAOYSA-N
MW373.78 g/mol
LogP5.02
Rot. Bonds7

About benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate

benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate (PubChem CID 138719228) has the molecular formula C19H17ClNO3P and a molecular weight of 373.78 g/mol. Its IUPAC name is benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate
PubChem CID138719228
Molecular FormulaC19H17ClNO3P
Molecular Weight373.78 g/mol
Exact Mass373.06
IUPAC Namebenzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate
SMILESO=C(CNP(Cl)Oc1cccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H17ClNO3P/c20-25(21-13-19(22)23-14-15-7-2-1-3-8-15)24-18-12-6-10-16-9-4-5-11-17(16)18/h1-12,21H,13-14H2
InChIKeyZLVRQCGYUQMCRN-UHFFFAOYSA-N
XLogP5.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.78
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate
CID 144654245
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-(anthracen-9-ylmethylamino)acetate;hydrochloride
CID 126569520
[2-(sulfinatoamino)acetyl]oxymethylbenzene
CID 57164344
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-chloroacetate
CID 8786
benzyl (3R)-3-naphthalen-1-ylbutanoate
CID 170621952
benzyl 3-[chloro(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate
CID 76786008
benzyl 2-aminoacetate
CID 122130027
benzyl 2-[[(2R)-2-benzyl-3-chloropropanoyl]amino]acetate
CID 141123007
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate?
The IUPAC name of benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate (CID 138719228) is benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate?
The canonical SMILES for benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate is O=C(CNP(Cl)Oc1cccc2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate?
The InChIKey is ZLVRQCGYUQMCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClNO3P/c20-25(21-13-19(22)23-14-15-7-2-1-3-8-15)24-18-12-6-10-16-9-4-5-11-17(16)18/h1-12,21H,13-14H2.
What are the key properties of benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate?
benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate has a molecular weight of 373.78 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate is sourced from PubChem (CID 138719228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).