ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate

C19H19ClN2O4 — CID 7958134

IUPACethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-2-26-19(25)14-8-4-6-10-16(14)22-17(23)11-12-21-18(24)13-7-3-5-9-15(13)20/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyMOZCPFPJQLEJMW-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.28
Rot. Bonds7

About ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate

ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate (PubChem CID 7958134) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
PubChem CID7958134
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Nameethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-2-26-19(25)14-8-4-6-10-16(14)22-17(23)11-12-21-18(24)13-7-3-5-9-15(13)20/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyMOZCPFPJQLEJMW-UHFFFAOYSA-N
XLogP3.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
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ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
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ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
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ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
CID 7941475
ethyl 2-[3-(3,4-dimethylanilino)propanoylamino]benzoate
CID 109035585
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CID 109037899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate?
The IUPAC name of ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate (CID 7958134) is ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate?
The InChIKey is MOZCPFPJQLEJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-2-26-19(25)14-8-4-6-10-16(14)22-17(23)11-12-21-18(24)13-7-3-5-9-15(13)20/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate?
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 7958134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).