2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide

C17H16BrFN2O2 — CID 113178126

IUPAC2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1C
InChIInChI=1S/C17H16BrFN2O2/c1-11-8-13(18)6-7-16(11)21(12(2)22)10-17(23)20-15-5-3-4-14(19)9-15/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyDIRODXRXDOLUBR-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.89
Rot. Bonds4

About 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide

2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 113178126) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide
PubChem CID113178126
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1C
InChIInChI=1S/C17H16BrFN2O2/c1-11-8-13(18)6-7-16(11)21(12(2)22)10-17(23)20-15-5-3-4-14(19)9-15/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyDIRODXRXDOLUBR-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-bromo-2-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178111
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
2-(N-acetyl-4-bromo-3-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178204
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174637
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174325
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide (CID 113178126) is 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1C.
What is the InChIKey of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is DIRODXRXDOLUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-11-8-13(18)6-7-16(11)21(12(2)22)10-17(23)20-15-5-3-4-14(19)9-15/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide?
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 379.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113178126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).