4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide

C14H12Cl2N2O — CID 24699191

IUPAC4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-6-5-11(7-13(12)16)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,8,17H2,(H,18,19)
InChIKeyWAVKPPPQMCHJTI-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.70
Rot. Bonds3

About 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide

4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide (PubChem CID 24699191) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
PubChem CID24699191
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-6-5-11(7-13(12)16)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,8,17H2,(H,18,19)
InChIKeyWAVKPPPQMCHJTI-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide 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-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide (CID 24699191) is 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide is NCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is WAVKPPPQMCHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-12-6-5-11(7-13(12)16)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide?
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 295.17 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 24699191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).