ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate

C19H20ClNO3 — CID 5164713

IUPACethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)c1cccc(C)c1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-3-24-18(22)12-17(15-9-4-5-10-16(15)20)21-19(23)14-8-6-7-13(2)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyCFAYWWVIQWWBHW-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.07
Rot. Bonds6

About ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate

ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate (PubChem CID 5164713) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
PubChem CID5164713
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Nameethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)c1cccc(C)c1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-3-24-18(22)12-17(15-9-4-5-10-16(15)20)21-19(23)14-8-6-7-13(2)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyCFAYWWVIQWWBHW-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 7045197
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310480
ethyl 3-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]propanoate
CID 3500654
N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 4274954
ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 7310515
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
methyl 3-(2-chlorophenyl)-3-[(3-cyanobenzoyl)amino]propanoate
CID 51256847
propan-2-yl 3-(2-chlorophenyl)-3-[[3-(ethylsulfonylamino)benzoyl]amino]propanoate
CID 24672222
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
methyl 3-(2-chlorophenyl)-3-[(2-chloroquinoline-6-carbonyl)amino]propanoate
CID 55821714
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate (CID 5164713) is ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate is CCOC(=O)CC(NC(=O)c1cccc(C)c1)c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is CFAYWWVIQWWBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-24-18(22)12-17(15-9-4-5-10-16(15)20)21-19(23)14-8-6-7-13(2)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate?
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 345.83 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 5164713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).