3-(4-fluoroanilino)-N,N-dimethylbutanamide

C12H17FN2O — CID 115916764

IUPAC3-(4-fluoroanilino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(8-12(16)15(2)3)14-11-6-4-10(13)5-7-11/h4-7,9,14H,8H2,1-3H3
InChIKeyYVPUICHYYSUCJB-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.10
Rot. Bonds4

About 3-(4-fluoroanilino)-N,N-dimethylbutanamide

3-(4-fluoroanilino)-N,N-dimethylbutanamide (PubChem CID 115916764) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(4-fluoroanilino)-N,N-dimethylbutanamide
PubChem CID115916764
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-(4-fluoroanilino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(8-12(16)15(2)3)14-11-6-4-10(13)5-7-11/h4-7,9,14H,8H2,1-3H3
InChIKeyYVPUICHYYSUCJB-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide
CID 115922299
N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline
CID 115916758
4-fluoro-N-pentan-2-ylaniline
CID 15724808
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
CID 27868583
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-N,N-dimethylbutanamide?
The IUPAC name of 3-(4-fluoroanilino)-N,N-dimethylbutanamide (CID 115916764) is 3-(4-fluoroanilino)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(4-fluoroanilino)-N,N-dimethylbutanamide?
The canonical SMILES for 3-(4-fluoroanilino)-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoroanilino)-N,N-dimethylbutanamide?
The InChIKey is YVPUICHYYSUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(8-12(16)15(2)3)14-11-6-4-10(13)5-7-11/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 3-(4-fluoroanilino)-N,N-dimethylbutanamide?
3-(4-fluoroanilino)-N,N-dimethylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-N,N-dimethylbutanamide is sourced from PubChem (CID 115916764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).