1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

C20H22FNO2 — CID 100672872

IUPAC1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1
InChIInChI=1S/C20H22FNO2/c1-24-16-11-9-15(10-12-16)22-19(23)20(13-5-2-6-14-20)17-7-3-4-8-18(17)21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,23)
InChIKeyPPYNTSVXKFQZBA-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.67
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 100672872) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID100672872
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1
InChIInChI=1S/C20H22FNO2/c1-24-16-11-9-15(10-12-16)22-19(23)20(13-5-2-6-14-20)17-7-3-4-8-18(17)21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,23)
InChIKeyPPYNTSVXKFQZBA-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673262
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
N-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673240
N-[1-(2-fluorophenyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
CID 110440158
1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 110424930
1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100663159
4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100682348
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100745829
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661519

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 100672872) is 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is PPYNTSVXKFQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-24-16-11-9-15(10-12-16)22-19(23)20(13-5-2-6-14-20)17-7-3-4-8-18(17)21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,23).
What are the key properties of 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100672872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).