ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C18H18ClNO3 — CID 43877551

IUPACethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c1-2-23-18(22)16(12-13-8-4-3-5-9-13)20-17(21)14-10-6-7-11-15(14)19/h3-11,16H,2,12H2,1H3,(H,20,21)
InChIKeyXISRMECUFLCIQD-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.24
Rot. Bonds6

About ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 43877551) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID43877551
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Nameethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c1-2-23-18(22)16(12-13-8-4-3-5-9-13)20-17(21)14-10-6-7-11-15(14)19/h3-11,16H,2,12H2,1H3,(H,20,21)
InChIKeyXISRMECUFLCIQD-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40578348
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
CID 43877625
ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
ethyl 2-[(2-chlorobenzoyl)amino]-3-[4-(morpholine-4-carbothioyloxy)phenyl]propanoate
CID 21018848
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 43877551) is ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl.
What is the InChIKey of ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is XISRMECUFLCIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-2-23-18(22)16(12-13-8-4-3-5-9-13)20-17(21)14-10-6-7-11-15(14)19/h3-11,16H,2,12H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 331.80 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 43877551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).