1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide

C16H22FNO2 — CID 103772448

IUPAC1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-15(2,9-10-19)11-18-14(20)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyUNMJLAKSKNTBCO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide (PubChem CID 103772448) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
PubChem CID103772448
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-15(2,9-10-19)11-18-14(20)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyUNMJLAKSKNTBCO-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504896
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-chlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclopropane-1-carboxamide
CID 56827735
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide (CID 103772448) is 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide is CC(C)(CCO)CNC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide?
The InChIKey is UNMJLAKSKNTBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-15(2,9-10-19)11-18-14(20)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,19H,7-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 103772448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).