4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide

C17H17BrN2O — CID 60938975

IUPAC4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
SMILESNc1ccc(C(=O)N(Cc2ccccc2Br)C2CC2)cc1
InChIInChI=1S/C17H17BrN2O/c18-16-4-2-1-3-13(16)11-20(15-9-10-15)17(21)12-5-7-14(19)8-6-12/h1-8,15H,9-11,19H2
InChIKeyJBEBVPLQBVNQAF-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.84
Rot. Bonds4

About 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide

4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide (PubChem CID 60938975) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
PubChem CID60938975
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
SMILESNc1ccc(C(=O)N(Cc2ccccc2Br)C2CC2)cc1
InChIInChI=1S/C17H17BrN2O/c18-16-4-2-1-3-13(16)11-20(15-9-10-15)17(21)12-5-7-14(19)8-6-12/h1-8,15H,9-11,19H2
InChIKeyJBEBVPLQBVNQAF-UHFFFAOYSA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide 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-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
CID 60737654
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-bromophenyl)methyl]-N-cyclopropylacetamide
CID 61106358

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide (CID 60938975) is 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide is Nc1ccc(C(=O)N(Cc2ccccc2Br)C2CC2)cc1.
What is the InChIKey of 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide?
The InChIKey is JBEBVPLQBVNQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-16-4-2-1-3-13(16)11-20(15-9-10-15)17(21)12-5-7-14(19)8-6-12/h1-8,15H,9-11,19H2.
What are the key properties of 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide?
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide has a molecular weight of 345.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 60938975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).