ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate

C19H19Cl2NO4 — CID 7310426

IUPACethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-3-26-18(23)11-17(12-4-7-14(25-2)8-5-12)22-19(24)13-6-9-15(20)16(21)10-13/h4-10,17H,3,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyPGPMSUIQHVIMSA-KRWDZBQOSA-N
MW396.27 g/mol
LogP4.43
Rot. Bonds7

About ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate

ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 7310426) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID7310426
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Nameethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-3-26-18(23)11-17(12-4-7-14(25-2)8-5-12)22-19(24)13-6-9-15(20)16(21)10-13/h4-10,17H,3,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyPGPMSUIQHVIMSA-KRWDZBQOSA-N
XLogP4.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
ethyl 3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55876426
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698
3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 5006095
(3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 1267320
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
propan-2-yl 3-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516750

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate (CID 7310426) is ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate is CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1.
What is the InChIKey of ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is PGPMSUIQHVIMSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-3-26-18(23)11-17(12-4-7-14(25-2)8-5-12)22-19(24)13-6-9-15(20)16(21)10-13/h4-10,17H,3,11H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 396.27 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 7310426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).