2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide

C16H16BrNO — CID 100699556

IUPAC2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO/c1-12-4-2-6-14(8-12)11-18-16(19)10-13-5-3-7-15(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyAFAKZUIDBNIJQF-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.62
Rot. Bonds4

About 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide

2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 100699556) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID100699556
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO/c1-12-4-2-6-14(8-12)11-18-16(19)10-13-5-3-7-15(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyAFAKZUIDBNIJQF-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769107
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide (CID 100699556) is 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is AFAKZUIDBNIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-4-2-6-14(8-12)11-18-16(19)10-13-5-3-7-15(17)9-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide?
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 318.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 100699556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).