N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide

C15H15BrN2O — CID 115999651

IUPACN-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccccc2CN)c1
InChIInChI=1S/C15H15BrN2O/c1-10-6-12(8-13(16)7-10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyBWIZTHHSCVMQDM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.47
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide

N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide (PubChem CID 115999651) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
PubChem CID115999651
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccccc2CN)c1
InChIInChI=1S/C15H15BrN2O/c1-10-6-12(8-13(16)7-10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyBWIZTHHSCVMQDM-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

3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
CID 64882517
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814224
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 81295178
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-5-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 104851985

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide (CID 115999651) is N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2ccccc2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide?
The InChIKey is BWIZTHHSCVMQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-6-12(8-13(16)7-10)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]-3-bromo-5-methylbenzamide?
N-[2-(aminomethyl)phenyl]-3-bromo-5-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]-3-bromo-5-methylbenzamide is sourced from PubChem (CID 115999651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).