N-butyl-2-(4-fluorophenyl)-3-methylbutanamide

C15H22FNO — CID 110316809

IUPACN-butyl-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCCCCNC(=O)C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO/c1-4-5-10-17-15(18)14(11(2)3)12-6-8-13(16)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyXDIMMNTWNRJURB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.48
Rot. Bonds6

About N-butyl-2-(4-fluorophenyl)-3-methylbutanamide

N-butyl-2-(4-fluorophenyl)-3-methylbutanamide (PubChem CID 110316809) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenyl)-3-methylbutanamide
PubChem CID110316809
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-butyl-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCCCCNC(=O)C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO/c1-4-5-10-17-15(18)14(11(2)3)12-6-8-13(16)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyXDIMMNTWNRJURB-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
CID 56635830
N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110356855
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133149574
4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350
1-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-pentylthiourea
CID 9187630
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-butyl-2-(4-fluorophenyl)-3-methylbutanamide (CID 110316809) is N-butyl-2-(4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-butyl-2-(4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-butyl-2-(4-fluorophenyl)-3-methylbutanamide is CCCCNC(=O)C(c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-butyl-2-(4-fluorophenyl)-3-methylbutanamide?
The InChIKey is XDIMMNTWNRJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-5-10-17-15(18)14(11(2)3)12-6-8-13(16)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of N-butyl-2-(4-fluorophenyl)-3-methylbutanamide?
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide has a molecular weight of 251.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 110316809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).