N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen

C16H26FNO — CID 155585922

IUPACN-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen
SMILESCC(C)CC(=O)Nc1ccc(CC(C)(C)C)cc1F.[H][H]
InChIInChI=1S/C16H24FNO.H2/c1-11(2)8-15(19)18-14-7-6-12(9-13(14)17)10-16(3,4)5;/h6-7,9,11H,8,10H2,1-5H3,(H,18,19);1H
InChIKeyFJCHAJWJXXBCAR-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.64
Rot. Bonds4

About N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen

N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen (PubChem CID 155585922) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen
PubChem CID155585922
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen
SMILESCC(C)CC(=O)Nc1ccc(CC(C)(C)C)cc1F.[H][H]
InChIInChI=1S/C16H24FNO.H2/c1-11(2)8-15(19)18-14-7-6-12(9-13(14)17)10-16(3,4)5;/h6-7,9,11H,8,10H2,1-5H3,(H,18,19);1H
InChIKeyFJCHAJWJXXBCAR-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119605802
N-(2-aminoethyl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119382331
(2S)-2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 99776333
N-[(2S)-1-aminopropan-2-yl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 120506377
N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
CID 113092923
3,4-bis(3-methylbutanoylamino)benzoic acid
CID 5099816
3-ethyl-3-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]pentanoic acid
CID 120532640
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen?
The IUPAC name of N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen (CID 155585922) is N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen.
What is the SMILES notation for N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen?
The canonical SMILES for N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen is CC(C)CC(=O)Nc1ccc(CC(C)(C)C)cc1F.[H][H].
What is the InChIKey of N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen?
The InChIKey is FJCHAJWJXXBCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO.H2/c1-11(2)8-15(19)18-14-7-6-12(9-13(14)17)10-16(3,4)5;/h6-7,9,11H,8,10H2,1-5H3,(H,18,19);1H.
What are the key properties of N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen?
N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen has a molecular weight of 267.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-3-methylbutanamide;molecular hydrogen is sourced from PubChem (CID 155585922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).