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

C15H14BrClN2O — CID 61139486

IUPAC5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)17/h2-8H,9,18H2,1H3
InChIKeyZJYLOFGMEQKLGE-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.96
Rot. Bonds3

About 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide

5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide (PubChem CID 61139486) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
PubChem CID61139486
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)17/h2-8H,9,18H2,1H3
InChIKeyZJYLOFGMEQKLGE-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-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
3-[[(3-bromophenyl)methyl-methylamino]methyl]-4-chloroaniline
CID 61415895
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
5-amino-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 61107084
5-amino-2-[(3-bromophenyl)methyl-methylamino]benzoic acid
CID 61416177

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide?
The IUPAC name of 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide (CID 61139486) is 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide?
The canonical SMILES for 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide is CN(Cc1cccc(Br)c1)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide?
The InChIKey is ZJYLOFGMEQKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)17/h2-8H,9,18H2,1H3.
What are the key properties of 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide?
5-amino-N-[(3-bromophenyl)methyl]-2-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 5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 61139486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).