3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride

C17H16ClN3O3 — CID 102238817

IUPAC3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride
SMILESCNC(=O)N(C)c1ccc(C(=O)Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H16ClN3O3/c1-19-17(24)21(2)14-9-8-12(15(18)22)10-13(14)20-16(23)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,24)(H,20,23)
InChIKeyFLWNDOUQPMBCBI-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.09
Rot. Bonds4

About 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride

3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride (PubChem CID 102238817) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride.

Molecular Properties

Compound Name3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride
PubChem CID102238817
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride
SMILESCNC(=O)N(C)c1ccc(C(=O)Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H16ClN3O3/c1-19-17(24)21(2)14-9-8-12(15(18)22)10-13(14)20-16(23)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,24)(H,20,23)
InChIKeyFLWNDOUQPMBCBI-UHFFFAOYSA-N
XLogP3.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzamido-4-[benzyl(methyl)amino]benzoic acid
CID 53053003
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-[2-(methylamino)phenyl]benzamide
CID 101444547
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid
CID 53052827
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
N-methylbenzamide
CID 11954
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
4-[benzyl(methyl)amino]-3-[(3-methylbenzoyl)amino]benzoic acid
CID 53052954
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride?
The IUPAC name of 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride (CID 102238817) is 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride.
What is the SMILES notation for 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride?
The canonical SMILES for 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride is CNC(=O)N(C)c1ccc(C(=O)Cl)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride?
The InChIKey is FLWNDOUQPMBCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-19-17(24)21(2)14-9-8-12(15(18)22)10-13(14)20-16(23)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride?
3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride has a molecular weight of 345.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-[methyl(methylcarbamoyl)amino]benzoyl chloride is sourced from PubChem (CID 102238817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).