4-(2,3-dimethylanilino)benzoyl chloride

C15H14ClNO — CID 71393538

IUPAC4-(2,3-dimethylanilino)benzoyl chloride
SMILESCc1cccc(Nc2ccc(C(=O)Cl)cc2)c1C
InChIInChI=1S/C15H14ClNO/c1-10-4-3-5-14(11(10)2)17-13-8-6-12(7-9-13)15(16)18/h3-9,17H,1-2H3
InChIKeyPGKGATGFGBQABF-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.43
Rot. Bonds3

About 4-(2,3-dimethylanilino)benzoyl chloride

4-(2,3-dimethylanilino)benzoyl chloride (PubChem CID 71393538) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)benzoyl chloride.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)benzoyl chloride
PubChem CID71393538
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name4-(2,3-dimethylanilino)benzoyl chloride
SMILESCc1cccc(Nc2ccc(C(=O)Cl)cc2)c1C
InChIInChI=1S/C15H14ClNO/c1-10-4-3-5-14(11(10)2)17-13-8-6-12(7-9-13)15(16)18/h3-9,17H,1-2H3
InChIKeyPGKGATGFGBQABF-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.43
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

2,3-dimethyl-N-phenylaniline
CID 14952469
N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
CID 18207871
N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
CID 112986454
methyl 4-(3-methoxy-2-methylanilino)benzoate
CID 69185509
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198302
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide
CID 112986448
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
1-[4-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112963851
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoyl chloride
CID 87352464
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112849299
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)benzoyl chloride?
The IUPAC name of 4-(2,3-dimethylanilino)benzoyl chloride (CID 71393538) is 4-(2,3-dimethylanilino)benzoyl chloride.
What is the SMILES notation for 4-(2,3-dimethylanilino)benzoyl chloride?
The canonical SMILES for 4-(2,3-dimethylanilino)benzoyl chloride is Cc1cccc(Nc2ccc(C(=O)Cl)cc2)c1C.
What is the InChIKey of 4-(2,3-dimethylanilino)benzoyl chloride?
The InChIKey is PGKGATGFGBQABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-10-4-3-5-14(11(10)2)17-13-8-6-12(7-9-13)15(16)18/h3-9,17H,1-2H3.
What are the key properties of 4-(2,3-dimethylanilino)benzoyl chloride?
4-(2,3-dimethylanilino)benzoyl chloride has a molecular weight of 259.74 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)benzoyl chloride is sourced from PubChem (CID 71393538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).