2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide

C15H15BrN2O — CID 16781523

IUPAC2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-2-4-13(17)14(10)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyKEMXPGRWBHXDRE-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide

2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide (PubChem CID 16781523) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
PubChem CID16781523
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-2-4-13(17)14(10)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyKEMXPGRWBHXDRE-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
2-amino-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368567
2-amino-N-(4-ethylphenyl)-6-methylbenzamide
CID 16788782

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide (CID 16781523) is 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide?
The InChIKey is KEMXPGRWBHXDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-3-2-4-13(17)14(10)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide?
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide is sourced from PubChem (CID 16781523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).