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

C12H18FN3O — CID 63053993

IUPAC4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
SMILESCNC(CCN(C)c1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H18FN3O/c1-15-11(12(14)17)6-7-16(2)10-5-3-4-9(13)8-10/h3-5,8,11,15H,6-7H2,1-2H3,(H2,14,17)
InChIKeyOZGLQRQKWDMFIN-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.73
Rot. Bonds6

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

4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide (PubChem CID 63053993) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
PubChem CID63053993
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
SMILESCNC(CCN(C)c1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H18FN3O/c1-15-11(12(14)17)6-7-16(2)10-5-3-4-9(13)8-10/h3-5,8,11,15H,6-7H2,1-2H3,(H2,14,17)
InChIKeyOZGLQRQKWDMFIN-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
CID 63054343
methyl 2-(methylamino)-4-(N-methylanilino)butanoate
CID 63029346
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
CID 64791342

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide?
The IUPAC name of 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide (CID 63053993) is 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide.
What is the SMILES notation for 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide?
The canonical SMILES for 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide is CNC(CCN(C)c1cccc(F)c1)C(N)=O.
What is the InChIKey of 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide?
The InChIKey is OZGLQRQKWDMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-15-11(12(14)17)6-7-16(2)10-5-3-4-9(13)8-10/h3-5,8,11,15H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide?
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide has a molecular weight of 239.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide is sourced from PubChem (CID 63053993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).