prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C19H18ClNO3 — CID 40578348

IUPACprop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESC=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClNO3/c1-2-12-24-19(23)17(13-14-8-4-3-5-9-14)21-18(22)15-10-6-7-11-16(15)20/h2-11,17H,1,12-13H2,(H,21,22)/t17-/m1/s1
InChIKeyGIEAXPBAUVVJTB-QGZVFWFLSA-N
MW343.81 g/mol
LogP3.41
Rot. Bonds7

About prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 40578348) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID40578348
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Nameprop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESC=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H18ClNO3/c1-2-12-24-19(23)17(13-14-8-4-3-5-9-14)21-18(22)15-10-6-7-11-16(15)20/h2-11,17H,1,12-13H2,(H,21,22)/t17-/m1/s1
InChIKeyGIEAXPBAUVVJTB-QGZVFWFLSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate 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
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 40626177
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
CID 87946650
propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate
CID 66646632
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
CID 40634959
(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
CID 7015060

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 40578348) is prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl.
What is the InChIKey of prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is GIEAXPBAUVVJTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-2-12-24-19(23)17(13-14-8-4-3-5-9-14)21-18(22)15-10-6-7-11-16(15)20/h2-11,17H,1,12-13H2,(H,21,22)/t17-/m1/s1.
What are the key properties of prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 343.81 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 40578348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).