4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride

C16H15ClN2O2 — CID 122527773

IUPAC4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-19(2)14-9-7-13(8-10-14)18-16(21)12-5-3-11(4-6-12)15(17)20/h3-10H,1-2H3,(H,18,21)
InChIKeyCRYIIZDSJZZFJK-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.38
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride

4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride (PubChem CID 122527773) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
PubChem CID122527773
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-19(2)14-9-7-13(8-10-14)18-16(21)12-5-3-11(4-6-12)15(17)20/h3-10H,1-2H3,(H,18,21)
InChIKeyCRYIIZDSJZZFJK-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride 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

N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
CID 151717833
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
4-(dimethylamino)-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110743956

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride (CID 122527773) is 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride is CN(C)c1ccc(NC(=O)c2ccc(C(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride?
The InChIKey is CRYIIZDSJZZFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(2)14-9-7-13(8-10-14)18-16(21)12-5-3-11(4-6-12)15(17)20/h3-10H,1-2H3,(H,18,21).
What are the key properties of 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride?
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride has a molecular weight of 302.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride is sourced from PubChem (CID 122527773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).