2-anilino-N-(3-bromo-2-methylphenyl)acetamide

C15H15BrN2O — CID 50874354

IUPAC2-anilino-N-(3-bromo-2-methylphenyl)acetamide
SMILESCc1c(Br)cccc1NC(=O)CNc1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-11-13(16)8-5-9-14(11)18-15(19)10-17-12-6-3-2-4-7-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyXKGBLSHCFYTOAA-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.81
Rot. Bonds4

About 2-anilino-N-(3-bromo-2-methylphenyl)acetamide

2-anilino-N-(3-bromo-2-methylphenyl)acetamide (PubChem CID 50874354) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-anilino-N-(3-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3-bromo-2-methylphenyl)acetamide
PubChem CID50874354
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-anilino-N-(3-bromo-2-methylphenyl)acetamide
SMILESCc1c(Br)cccc1NC(=O)CNc1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-11-13(16)8-5-9-14(11)18-15(19)10-17-12-6-3-2-4-7-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyXKGBLSHCFYTOAA-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
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2-anilino-N-naphthalen-1-ylacetamide
CID 767556
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
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2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
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CID 107638371

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-anilino-N-(3-bromo-2-methylphenyl)acetamide (CID 50874354) is 2-anilino-N-(3-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-anilino-N-(3-bromo-2-methylphenyl)acetamide is Cc1c(Br)cccc1NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-(3-bromo-2-methylphenyl)acetamide?
The InChIKey is XKGBLSHCFYTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-13(16)8-5-9-14(11)18-15(19)10-17-12-6-3-2-4-7-12/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of 2-anilino-N-(3-bromo-2-methylphenyl)acetamide?
2-anilino-N-(3-bromo-2-methylphenyl)acetamide has a molecular weight of 319.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 50874354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).