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

C15H15BrN2O — CID 54916014

IUPAC3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cccc(N)c1
InChIInChI=1S/C15H15BrN2O/c1-18(10-11-4-2-6-13(16)8-11)15(19)12-5-3-7-14(17)9-12/h2-9H,10,17H2,1H3
InChIKeyASUJBOCPGFPEPH-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.30
Rot. Bonds3

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

3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide (PubChem CID 54916014) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
PubChem CID54916014
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cccc(N)c1
InChIInChI=1S/C15H15BrN2O/c1-18(10-11-4-2-6-13(16)8-11)15(19)12-5-3-7-14(17)9-12/h2-9H,10,17H2,1H3
InChIKeyASUJBOCPGFPEPH-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.30
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

N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide (CID 54916014) is 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(Br)c1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide?
The InChIKey is ASUJBOCPGFPEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-18(10-11-4-2-6-13(16)8-11)15(19)12-5-3-7-14(17)9-12/h2-9H,10,17H2,1H3.
What are the key properties of 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide?
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 54916014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).