(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide

C20H22Cl2N2O4 — CID 2165550

IUPAC(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O4/c1-13(27-17-7-3-5-15(21)11-17)19(25)23-9-10-24-20(26)14(2)28-18-8-4-6-16(22)12-18/h3-8,11-14H,9-10H2,1-2H3,(H,23,25)(H,24,26)/t13-,14-/m1/s1
InChIKeyWHWIFFFHCBTEIJ-ZIAGYGMSSA-N
MW425.31 g/mol
LogP3.46
Rot. Bonds9

About (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide (PubChem CID 2165550) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
PubChem CID2165550
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O4/c1-13(27-17-7-3-5-15(21)11-17)19(25)23-9-10-24-20(26)14(2)28-18-8-4-6-16(22)12-18/h3-8,11-14H,9-10H2,1-2H3,(H,23,25)(H,24,26)/t13-,14-/m1/s1
InChIKeyWHWIFFFHCBTEIJ-ZIAGYGMSSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623
3-[2-(3-chlorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107230

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide (CID 2165550) is (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide?
The InChIKey is WHWIFFFHCBTEIJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-13(27-17-7-3-5-15(21)11-17)19(25)23-9-10-24-20(26)14(2)28-18-8-4-6-16(22)12-18/h3-8,11-14H,9-10H2,1-2H3,(H,23,25)(H,24,26)/t13-,14-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide has a molecular weight of 425.31 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide is sourced from PubChem (CID 2165550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).