N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide

C15H22FNO — CID 48854171

IUPACN-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide
SMILESCCCCN(C)C(=O)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-4-5-10-17(3)15(18)12(2)11-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyROHYOKRNGJKSHB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.26
Rot. Bonds6

About N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide

N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide (PubChem CID 48854171) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide
PubChem CID48854171
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide
SMILESCCCCN(C)C(=O)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-4-5-10-17(3)15(18)12(2)11-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyROHYOKRNGJKSHB-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78795819
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 115156145
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 110308894
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
The IUPAC name of N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide (CID 48854171) is N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide is CCCCN(C)C(=O)C(C)Cc1ccc(F)cc1.
What is the InChIKey of N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
The InChIKey is ROHYOKRNGJKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-5-10-17(3)15(18)12(2)11-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide has a molecular weight of 251.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 48854171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).