N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C20H22FNO — CID 113198352

IUPACN-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO/c1-19(2,3)16-6-4-5-7-17(16)22-18(23)20(12-13-20)14-8-10-15(21)11-9-14/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyBBYNWJUTYCXQCU-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.79
Rot. Bonds3

About N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 113198352) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID113198352
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC NameN-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO/c1-19(2,3)16-6-4-5-7-17(16)22-18(23)20(12-13-20)14-8-10-15(21)11-9-14/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyBBYNWJUTYCXQCU-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-tert-butylphenyl)-1-(4-fluorophenyl)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-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000452
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
1-N-(4-fluorophenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982388
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467516

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 113198352) is N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is CC(C)(C)c1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is BBYNWJUTYCXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-19(2,3)16-6-4-5-7-17(16)22-18(23)20(12-13-20)14-8-10-15(21)11-9-14/h4-11H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 311.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113198352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).