2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide

C16H16BrNO — CID 62315224

IUPAC2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO/c1-12-5-4-6-13(11-12)9-10-18-16(19)14-7-2-3-8-15(14)17/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeySXVOEODNNDEJFE-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.73
Rot. Bonds4

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

2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide (PubChem CID 62315224) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
PubChem CID62315224
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO/c1-12-5-4-6-13(11-12)9-10-18-16(19)14-7-2-3-8-15(14)17/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeySXVOEODNNDEJFE-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889430
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-fluoro-N-[2-(3-methylphenyl)ethyl]-5-sulfanylbenzamide
CID 107028207
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-methyl-N-[2-(3-methylphenyl)ethyl]-5-nitrobenzamide
CID 60611649
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide (CID 62315224) is 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide is Cc1cccc(CCNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide?
The InChIKey is SXVOEODNNDEJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-5-4-6-13(11-12)9-10-18-16(19)14-7-2-3-8-15(14)17/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide?
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide has a molecular weight of 318.21 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 62315224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).