4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide

C16H14BrFN2O2 — CID 9211763

IUPAC4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-10-2-7-13(18)8-14(10)20-15(21)9-19-16(22)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyLVACRPVRJYTVFJ-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.27
Rot. Bonds4

About 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide

4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide (PubChem CID 9211763) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
PubChem CID9211763
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Name4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-10-2-7-13(18)8-14(10)20-15(21)9-19-16(22)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyLVACRPVRJYTVFJ-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
2-(4-acetylanilino)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18096453
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide (CID 9211763) is 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide is Cc1ccc(F)cc1NC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is LVACRPVRJYTVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-10-2-7-13(18)8-14(10)20-15(21)9-19-16(22)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide?
4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 365.20 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9211763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).