2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide

C12H16FN3O2 — CID 61219635

IUPAC2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide
SMILESCC(C)(NCC(=O)Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H16FN3O2/c1-12(2,11(14)18)15-7-10(17)16-9-5-3-8(13)4-6-9/h3-6,15H,7H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyNSOCILHVFAKBNS-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.62
Rot. Bonds5

About 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide

2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide (PubChem CID 61219635) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide
PubChem CID61219635
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide
SMILESCC(C)(NCC(=O)Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H16FN3O2/c1-12(2,11(14)18)15-7-10(17)16-9-5-3-8(13)4-6-9/h3-6,15H,7H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyNSOCILHVFAKBNS-UHFFFAOYSA-N
XLogP0.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 113276454
N'-(4-fluorophenyl)propanediamide
CID 18174009
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954667
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide (CID 61219635) is 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide is CC(C)(NCC(=O)Nc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide?
The InChIKey is NSOCILHVFAKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-12(2,11(14)18)15-7-10(17)16-9-5-3-8(13)4-6-9/h3-6,15H,7H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide?
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide has a molecular weight of 253.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide is sourced from PubChem (CID 61219635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).