ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate

C22H20ClNO3 — CID 22093441

IUPACethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20ClNO3/c1-2-27-22(26)20(14-15-10-12-17(23)13-11-15)24-21(25)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20H,2,14H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyMEXSIXJTJLKJBH-FQEVSTJZSA-N
MW381.86 g/mol
LogP4.40
Rot. Bonds6

About ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate

ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate (PubChem CID 22093441) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
PubChem CID22093441
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Nameethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20ClNO3/c1-2-27-22(26)20(14-15-10-12-17(23)13-11-15)24-21(25)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20H,2,14H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyMEXSIXJTJLKJBH-FQEVSTJZSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl 3-(4-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 11001050
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
CID 155427764
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
CID 42725029
ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate
CID 6733974
ethyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 66843057
ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
CID 43877625
ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate?
The IUPAC name of ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate (CID 22093441) is ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate.
What is the SMILES notation for ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate?
The canonical SMILES for ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate is CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate?
The InChIKey is MEXSIXJTJLKJBH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-2-27-22(26)20(14-15-10-12-17(23)13-11-15)24-21(25)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20H,2,14H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate?
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate has a molecular weight of 381.86 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate is sourced from PubChem (CID 22093441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).