3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide

C15H15BrN2O — CID 61400942

IUPAC3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(Br)c2)cc1N
InChIInChI=1S/C15H15BrN2O/c1-10-5-6-12(8-14(10)17)15(19)18-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyFNWFWFOUUYCETG-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.27
Rot. Bonds3

About 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide

3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide (PubChem CID 61400942) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
PubChem CID61400942
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(Br)c2)cc1N
InChIInChI=1S/C15H15BrN2O/c1-10-5-6-12(8-14(10)17)15(19)18-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyFNWFWFOUUYCETG-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

3-amino-N-benzyl-4-methylbenzamide
CID 12607982
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
N-[(3-bromophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 60739897
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide (CID 61400942) is 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cccc(Br)c2)cc1N.
What is the InChIKey of 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide?
The InChIKey is FNWFWFOUUYCETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-5-6-12(8-14(10)17)15(19)18-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide?
3-amino-N-[(3-bromophenyl)methyl]-4-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 3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 61400942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).