2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide

C16H16BrNO — CID 100697605

IUPAC2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO/c1-11-6-12(2)8-15(7-11)18-16(19)10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyIPLWNMSDSFTNNO-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.25
Rot. Bonds3

About 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide

2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 100697605) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID100697605
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO/c1-11-6-12(2)8-15(7-11)18-16(19)10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyIPLWNMSDSFTNNO-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
N,4-bis(3-bromophenyl)-3-oxobutanamide
CID 159771681
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 79049813
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
CID 102979817
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide (CID 100697605) is 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is IPLWNMSDSFTNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-6-12(2)8-15(7-11)18-16(19)10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide?
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 318.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 100697605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).