4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide

C16H14ClNO2 — CID 67712313

IUPAC4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/CO)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-14-8-6-13(7-9-14)16(20)18-15-5-1-3-12(11-15)4-2-10-19/h1-9,11,19H,10H2,(H,18,20)/b4-2+
InChIKeyUNZIVYMJMZXXTC-DUXPYHPUSA-N
MW287.75 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide

4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide (PubChem CID 67712313) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
PubChem CID67712313
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/CO)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-14-8-6-13(7-9-14)16(20)18-15-5-1-3-12(11-15)4-2-10-19/h1-9,11,19H,10H2,(H,18,20)/b4-2+
InChIKeyUNZIVYMJMZXXTC-DUXPYHPUSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide 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

4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712801
N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide
CID 67712602
4-chloro-N-[3-[3-(1-methylpyrazol-4-yl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 78905806
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
CID 77340421
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
CID 2419562
4-chloro-N-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]benzamide
CID 177378529
4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
CID 18267434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide (CID 67712313) is 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide is O=C(Nc1cccc(/C=C/CO)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
The InChIKey is UNZIVYMJMZXXTC-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-14-8-6-13(7-9-14)16(20)18-15-5-1-3-12(11-15)4-2-10-19/h1-9,11,19H,10H2,(H,18,20)/b4-2+.
What are the key properties of 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide?
4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide has a molecular weight of 287.75 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide is sourced from PubChem (CID 67712313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).