N-[(2-bromophenyl)methyl]-3-methylbenzamide

C15H14BrNO — CID 60739134

IUPACN-[(2-bromophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO/c1-11-5-4-7-12(9-11)15(18)17-10-13-6-2-3-8-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyTVHJRQUZJLVADF-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.69
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-3-methylbenzamide

N-[(2-bromophenyl)methyl]-3-methylbenzamide (PubChem CID 60739134) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-methylbenzamide
PubChem CID60739134
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-[(2-bromophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO/c1-11-5-4-7-12(9-11)15(18)17-10-13-6-2-3-8-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyTVHJRQUZJLVADF-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
CID 41439169
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148201
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-methylbenzamide (CID 60739134) is N-[(2-bromophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-methylbenzamide?
The InChIKey is TVHJRQUZJLVADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11-5-4-7-12(9-11)15(18)17-10-13-6-2-3-8-14(13)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(2-bromophenyl)methyl]-3-methylbenzamide?
N-[(2-bromophenyl)methyl]-3-methylbenzamide has a molecular weight of 304.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 60739134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).