N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide

C16H22FNO — CID 171733091

IUPACN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide
SMILESCC(C)(C)C(CC1CC1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-16(2,3)14(10-11-4-5-11)18-15(19)12-6-8-13(17)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyUCHOSUNSMHJQNF-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.77
Rot. Bonds4

About N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide

N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide (PubChem CID 171733091) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide
PubChem CID171733091
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide
SMILESCC(C)(C)C(CC1CC1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-16(2,3)14(10-11-4-5-11)18-15(19)12-6-8-13(17)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyUCHOSUNSMHJQNF-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
CID 171608683
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 171733325
N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95628579
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 171608649
N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride
CID 171733283
[1-cyclobutyl-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223629
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide
CID 171608667
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide (CID 171733091) is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide is CC(C)(C)C(CC1CC1)NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide?
The InChIKey is UCHOSUNSMHJQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16(2,3)14(10-11-4-5-11)18-15(19)12-6-8-13(17)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide?
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide has a molecular weight of 263.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 171733091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).