N-(4-chlorobenzoyl)-4-methylbenzamide

C15H12ClNO2 — CID 122212331

IUPACN-(4-chlorobenzoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO2/c1-10-2-4-11(5-3-10)14(18)17-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H,17,18,19)
InChIKeyIBVFKVAXUBAXJA-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.22
Rot. Bonds2

About N-(4-chlorobenzoyl)-4-methylbenzamide

N-(4-chlorobenzoyl)-4-methylbenzamide (PubChem CID 122212331) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-4-methylbenzamide
PubChem CID122212331
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC NameN-(4-chlorobenzoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO2/c1-10-2-4-11(5-3-10)14(18)17-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H,17,18,19)
InChIKeyIBVFKVAXUBAXJA-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-4-chlorobenzamide
CID 11735747
(4-methylbenzoyl)carbamic acid
CID 89120559
(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 6014545
(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2059163
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
N-[(E)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2188593
N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
CID 23583750
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 1209279
4-chloro-N-(methylcarbamothioyl)benzamide
CID 4948495
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-4-methylbenzamide?
The IUPAC name of N-(4-chlorobenzoyl)-4-methylbenzamide (CID 122212331) is N-(4-chlorobenzoyl)-4-methylbenzamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-4-methylbenzamide?
The canonical SMILES for N-(4-chlorobenzoyl)-4-methylbenzamide is Cc1ccc(C(=O)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorobenzoyl)-4-methylbenzamide?
The InChIKey is IBVFKVAXUBAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-2-4-11(5-3-10)14(18)17-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(4-chlorobenzoyl)-4-methylbenzamide?
N-(4-chlorobenzoyl)-4-methylbenzamide has a molecular weight of 273.72 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-4-methylbenzamide is sourced from PubChem (CID 122212331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).