2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid

C16H11Cl2NO3 — CID 4768728

IUPAC2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc(Cl)c1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C16H11Cl2NO3/c17-12-8-4-7-11(14(12)18)9-13(16(21)22)19-15(20)10-5-2-1-3-6-10/h1-9H,(H,19,20)(H,21,22)
InChIKeyTWJQAEDTUHWXAK-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.85
Rot. Bonds4

About 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid

2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid (PubChem CID 4768728) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid
PubChem CID4768728
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc(Cl)c1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C16H11Cl2NO3/c17-12-8-4-7-11(14(12)18)9-13(16(21)22)19-15(20)10-5-2-1-3-6-10/h1-9H,(H,19,20)(H,21,22)
InChIKeyTWJQAEDTUHWXAK-UHFFFAOYSA-N
XLogP3.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid 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

(Z)-2-benzamido-3-[3-(2-chlorophenyl)phenyl]prop-2-enoic acid
CID 6480703
(Z)-2-Benzamido-3-phenylacrylic acid
CID 1551283
2-[p-Chlorobenzamido]-crotonic acid
CID 5372474
3-Phenyl-2-(phenylformamido)prop-2-enoic acid
CID 223035
(2E)-2-(Benzoylamino)-3-phenyl-2-propenoic acid
CID 818085
2-(3-Chloro-benzoylamino)-but-2-enoic acid
CID 44267548
2-(2-Chloro-benzoylamino)-but-2-enoic acid
CID 44267549
2-((2,3-Dichlorophenyl)formamido)propanoic acid
CID 20117642
(Z)-2-[(2,6-dichlorobenzoyl)amino]but-2-enoic acid
CID 44267547
3,3-Dichloro-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid
CID 843328
(E)-2-(2,4-dichlorobenzamido)-3-phenylacrylic acid
CID 877634
(Z)-2-Benzamido-3-(4-chlorophenyl)acrylic acid
CID 5401714

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid?
The IUPAC name of 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid (CID 4768728) is 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid.
What is the SMILES notation for 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid?
The canonical SMILES for 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid is O=C(O)C(=Cc1cccc(Cl)c1Cl)NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid?
The InChIKey is TWJQAEDTUHWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c17-12-8-4-7-11(14(12)18)9-13(16(21)22)19-15(20)10-5-2-1-3-6-10/h1-9H,(H,19,20)(H,21,22).
What are the key properties of 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid?
2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid has a molecular weight of 336.17 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(2,3-dichlorophenyl)prop-2-enoic acid is sourced from PubChem (CID 4768728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).