2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide

C16H16BrNO — CID 80979004

IUPAC2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H16BrNO/c1-11-4-3-5-13(8-11)10-18-16(19)14-9-12(2)6-7-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMVANMPQCPBHVCI-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.00
Rot. Bonds3

About 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide

2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 80979004) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID80979004
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H16BrNO/c1-11-4-3-5-13(8-11)10-18-16(19)14-9-12(2)6-7-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMVANMPQCPBHVCI-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
2-bromo-N-[[3-(chloromethyl)phenyl]methyl]-5-methylbenzamide
CID 114302504
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
CID 62511517
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 80979004) is 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cc(C)ccc2Br)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is MVANMPQCPBHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-4-3-5-13(8-11)10-18-16(19)14-9-12(2)6-7-15(14)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide?
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 80979004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).