ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate

C19H19Cl2NO3 — CID 7310541

IUPACethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-3-25-18(23)11-17(13-6-4-12(2)5-7-13)22-19(24)15-10-14(20)8-9-16(15)21/h4-10,17H,3,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyQJKNBPROOYWWBN-KRWDZBQOSA-N
MW380.27 g/mol
LogP4.73
Rot. Bonds6

About ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate

ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 7310541) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID7310541
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Nameethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-3-25-18(23)11-17(13-6-4-12(2)5-7-13)22-19(24)15-10-14(20)8-9-16(15)21/h4-10,17H,3,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyQJKNBPROOYWWBN-KRWDZBQOSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044686
3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432180
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate
CID 68869406
ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
CID 120626395
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
methyl 3-(4-chlorophenyl)-3-[[2-chloro-5-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439490
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate (CID 7310541) is ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate is CCOC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1.
What is the InChIKey of ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is QJKNBPROOYWWBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-3-25-18(23)11-17(13-6-4-12(2)5-7-13)22-19(24)15-10-14(20)8-9-16(15)21/h4-10,17H,3,11H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate?
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 380.27 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 7310541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).