3-(4-fluoro-2-methylanilino)butanamide

C11H15FN2O — CID 115925836

IUPAC3-(4-fluoro-2-methylanilino)butanamide
SMILESCc1cc(F)ccc1NC(C)CC(N)=O
InChIInChI=1S/C11H15FN2O/c1-7-5-9(12)3-4-10(7)14-8(2)6-11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15)
InChIKeyMRKURRHTHDTEMZ-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.81
Rot. Bonds4

About 3-(4-fluoro-2-methylanilino)butanamide

3-(4-fluoro-2-methylanilino)butanamide (PubChem CID 115925836) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylanilino)butanamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methylanilino)butanamide
PubChem CID115925836
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(4-fluoro-2-methylanilino)butanamide
SMILESCc1cc(F)ccc1NC(C)CC(N)=O
InChIInChI=1S/C11H15FN2O/c1-7-5-9(12)3-4-10(7)14-8(2)6-11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15)
InChIKeyMRKURRHTHDTEMZ-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-2-methylanilino)butanoic acid
CID 43536774
3-(2-cyano-4-fluoroanilino)butanamide
CID 115684999
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
3-(4-cyano-2-fluoroanilino)butanamide
CID 115685019
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
CID 63731312
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
methyl 3-(4-fluoro-2-iodoanilino)butanoate
CID 79768929
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylanilino)butanamide?
The IUPAC name of 3-(4-fluoro-2-methylanilino)butanamide (CID 115925836) is 3-(4-fluoro-2-methylanilino)butanamide.
What is the SMILES notation for 3-(4-fluoro-2-methylanilino)butanamide?
The canonical SMILES for 3-(4-fluoro-2-methylanilino)butanamide is Cc1cc(F)ccc1NC(C)CC(N)=O.
What is the InChIKey of 3-(4-fluoro-2-methylanilino)butanamide?
The InChIKey is MRKURRHTHDTEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7-5-9(12)3-4-10(7)14-8(2)6-11(13)15/h3-5,8,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(4-fluoro-2-methylanilino)butanamide?
3-(4-fluoro-2-methylanilino)butanamide has a molecular weight of 210.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylanilino)butanamide is sourced from PubChem (CID 115925836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).