3-[(3-methylphenyl)carbamoyl]benzoyl chloride

C15H12ClNO2 — CID 101097986

IUPAC3-[(3-methylphenyl)carbamoyl]benzoyl chloride
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Cl)c2)c1
InChIInChI=1S/C15H12ClNO2/c1-10-4-2-7-13(8-10)17-15(19)12-6-3-5-11(9-12)14(16)18/h2-9H,1H3,(H,17,19)
InChIKeyWRIUFTOZINHQAE-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.63
Rot. Bonds3

About 3-[(3-methylphenyl)carbamoyl]benzoyl chloride

3-[(3-methylphenyl)carbamoyl]benzoyl chloride (PubChem CID 101097986) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[(3-methylphenyl)carbamoyl]benzoyl chloride.

Molecular Properties

Compound Name3-[(3-methylphenyl)carbamoyl]benzoyl chloride
PubChem CID101097986
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-[(3-methylphenyl)carbamoyl]benzoyl chloride
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Cl)c2)c1
InChIInChI=1S/C15H12ClNO2/c1-10-4-2-7-13(8-10)17-15(19)12-6-3-5-11(9-12)14(16)18/h2-9H,1H3,(H,17,19)
InChIKeyWRIUFTOZINHQAE-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
CID 169358288

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)carbamoyl]benzoyl chloride?
The IUPAC name of 3-[(3-methylphenyl)carbamoyl]benzoyl chloride (CID 101097986) is 3-[(3-methylphenyl)carbamoyl]benzoyl chloride.
What is the SMILES notation for 3-[(3-methylphenyl)carbamoyl]benzoyl chloride?
The canonical SMILES for 3-[(3-methylphenyl)carbamoyl]benzoyl chloride is Cc1cccc(NC(=O)c2cccc(C(=O)Cl)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)carbamoyl]benzoyl chloride?
The InChIKey is WRIUFTOZINHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-4-2-7-13(8-10)17-15(19)12-6-3-5-11(9-12)14(16)18/h2-9H,1H3,(H,17,19).
What are the key properties of 3-[(3-methylphenyl)carbamoyl]benzoyl chloride?
3-[(3-methylphenyl)carbamoyl]benzoyl chloride has a molecular weight of 273.72 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)carbamoyl]benzoyl chloride is sourced from PubChem (CID 101097986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).