2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide

C22H16ClNO — CID 59223345

IUPAC2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide
SMILESCC#Cc1ccc(-c2ccccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H16ClNO/c1-2-7-16-12-14-17(15-13-16)18-8-4-6-11-21(18)24-22(25)19-9-3-5-10-20(19)23/h3-6,8-15H,1H3,(H,24,25)
InChIKeyIWQDMRYYJUMLGO-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.63
Rot. Bonds3

About 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide

2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide (PubChem CID 59223345) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide
PubChem CID59223345
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide
SMILESCC#Cc1ccc(-c2ccccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H16ClNO/c1-2-7-16-12-14-17(15-13-16)18-8-4-6-11-21(18)24-22(25)19-9-3-5-10-20(19)23/h3-6,8-15H,1H3,(H,24,25)
InChIKeyIWQDMRYYJUMLGO-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(4-prop-1-ynylphenyl)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

3,5-dimethyl-N-[2-(4-prop-1-ynylphenyl)phenyl]-1H-pyrazole-4-carboxamide
CID 141430561
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997
N-[2-[4-(3,3-dimethylbut-1-ynyl)phenyl]phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide;molecular fluorine
CID 91142413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide (CID 59223345) is 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide is CC#Cc1ccc(-c2ccccc2NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide?
The InChIKey is IWQDMRYYJUMLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c1-2-7-16-12-14-17(15-13-16)18-8-4-6-11-21(18)24-22(25)19-9-3-5-10-20(19)23/h3-6,8-15H,1H3,(H,24,25).
What are the key properties of 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide?
2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-prop-1-ynylphenyl)phenyl]benzamide is sourced from PubChem (CID 59223345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).