1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

C14H17ClFNO2 — CID 91103310

IUPAC1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)c(F)c2)CCCCC1CO
InChIInChI=1S/C14H17ClFNO2/c15-11-5-4-9(7-12(11)16)14(13(17)19)6-2-1-3-10(14)8-18/h4-5,7,10,18H,1-3,6,8H2,(H2,17,19)
InChIKeyWATHGWOOQQXHOS-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 91103310) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID91103310
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)c(F)c2)CCCCC1CO
InChIInChI=1S/C14H17ClFNO2/c15-11-5-4-9(7-12(11)16)14(13(17)19)6-2-1-3-10(14)8-18/h4-5,7,10,18H,1-3,6,8H2,(H2,17,19)
InChIKeyWATHGWOOQQXHOS-UHFFFAOYSA-N
XLogP2.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide
CID 57226302
2-(Hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 90943267
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
CID 91419163
1-(4-Chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 157652360
4-(4-chlorophenyl)tetrahydro-2H-pyran-4-carboxamide
CID 50895870
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 67421016
8-Amino-7-(4-chlorophenyl)-8-oxooctanoic acid
CID 69254577
1-(4-Chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 91429293
1-(3,4-Dichlorophenyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 91448515
2-(4-Chlorophenyl)-3-hydroxypropanamide
CID 123500993
(3S)-3-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbutanamide
CID 140777066
2-(4-Chlorophenyl)-2-(4-hydroxycyclohexyl)acetamide
CID 142798968

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (CID 91103310) is 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is NC(=O)C1(c2ccc(Cl)c(F)c2)CCCCC1CO.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is WATHGWOOQQXHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-11-5-4-9(7-12(11)16)14(13(17)19)6-2-1-3-10(14)8-18/h4-5,7,10,18H,1-3,6,8H2,(H2,17,19).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91103310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).