2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide

C15H14BrClN2O — CID 115540438

IUPAC2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-4-2-5-11(16)8-10)15(20)12-6-3-7-13(17)14(12)18/h2-8H,9,18H2,1H3
InChIKeyWVHHNAXNNJLVLW-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.96
Rot. Bonds3

About 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide

2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide (PubChem CID 115540438) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
PubChem CID115540438
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-4-2-5-11(16)8-10)15(20)12-6-3-7-13(17)14(12)18/h2-8H,9,18H2,1H3
InChIKeyWVHHNAXNNJLVLW-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113331776
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
CID 60969760
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide?
The IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide (CID 115540438) is 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide is CN(Cc1cccc(Br)c1)C(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide?
The InChIKey is WVHHNAXNNJLVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-19(9-10-4-2-5-11(16)8-10)15(20)12-6-3-7-13(17)14(12)18/h2-8H,9,18H2,1H3.
What are the key properties of 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide?
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide has a molecular weight of 353.65 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide is sourced from PubChem (CID 115540438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).