N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide

C13H17FN2O2 — CID 50875807

IUPACN-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCc1cc(F)ccc1NC(=O)CNC(=O)C(C)C
InChIInChI=1S/C13H17FN2O2/c1-8(2)13(18)15-7-12(17)16-11-5-4-10(14)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAPBVXIWBPJCCBF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide

N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide (PubChem CID 50875807) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
PubChem CID50875807
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCc1cc(F)ccc1NC(=O)CNC(=O)C(C)C
InChIInChI=1S/C13H17FN2O2/c1-8(2)13(18)15-7-12(17)16-11-5-4-10(14)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAPBVXIWBPJCCBF-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide
CID 50960737
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide (CID 50875807) is N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide is Cc1cc(F)ccc1NC(=O)CNC(=O)C(C)C.
What is the InChIKey of N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is APBVXIWBPJCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(2)13(18)15-7-12(17)16-11-5-4-10(14)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide?
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 252.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 50875807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).