N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide

C16H24FNO — CID 18736125

IUPACN-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-5-6-10-18(15(19)12-16(2,3)4)14-9-7-8-13(17)11-14/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyRBLUUGQQDYSOPZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.39
Rot. Bonds5

About N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide

N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide (PubChem CID 18736125) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
PubChem CID18736125
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-5-6-10-18(15(19)12-16(2,3)4)14-9-7-8-13(17)11-14/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyRBLUUGQQDYSOPZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
CID 18735896
N-butyl-N-[3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 18736126
N-butyl-3,3-dimethyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 18736042
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
CID 18736065
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
3-[N-(2,2-dimethylpropanoyl)-3-fluoroanilino]propanoic acid
CID 28764336
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
4-[4-[(3-fluoro-N-pentanoylanilino)methyl]phenyl]benzoic acid
CID 71254804
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide (CID 18736125) is N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide is CCCCN(C(=O)CC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide?
The InChIKey is RBLUUGQQDYSOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-6-10-18(15(19)12-16(2,3)4)14-9-7-8-13(17)11-14/h7-9,11H,5-6,10,12H2,1-4H3.
What are the key properties of N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide?
N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide has a molecular weight of 265.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 18736125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).