N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide

C15H14BrFN2O — CID 9098661

IUPACN-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-10-2-7-14(13(16)8-10)19-15(20)9-18-12-5-3-11(17)4-6-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyVXENFEFETDTEFL-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.95
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide

N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide (PubChem CID 9098661) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
PubChem CID9098661
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-10-2-7-14(13(16)8-10)19-15(20)9-18-12-5-3-11(17)4-6-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyVXENFEFETDTEFL-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009601
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 28991479
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 109041057
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
CID 60564533
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide (CID 9098661) is N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide?
The InChIKey is VXENFEFETDTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10-2-7-14(13(16)8-10)19-15(20)9-18-12-5-3-11(17)4-6-12/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 9098661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).