N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide

C15H15BrN2O — CID 64882517

IUPACN-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccccc1CN
InChIInChI=1S/C15H15BrN2O/c1-10-8-12(16)6-7-13(10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyGGONODRPYPKLQD-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.47
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide

N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide (PubChem CID 64882517) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
PubChem CID64882517
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccccc1CN
InChIInChI=1S/C15H15BrN2O/c1-10-8-12(16)6-7-13(10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyGGONODRPYPKLQD-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide (CID 64882517) is N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide?
The InChIKey is GGONODRPYPKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-8-12(16)6-7-13(10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide?
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide is sourced from PubChem (CID 64882517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).