N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide

C17H23F2NO3 — CID 75384179

IUPACN-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide
SMILESO=C(NC(CCO)C1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H23F2NO3/c18-17(19)23-14-8-6-13(7-9-14)16(22)20-15(10-11-21)12-4-2-1-3-5-12/h6-9,12,15,17,21H,1-5,10-11H2,(H,20,22)
InChIKeyGUMLTAXJKVNOST-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.35
Rot. Bonds7

About N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide

N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide (PubChem CID 75384179) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide
PubChem CID75384179
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC NameN-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide
SMILESO=C(NC(CCO)C1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H23F2NO3/c18-17(19)23-14-8-6-13(7-9-14)16(22)20-15(10-11-21)12-4-2-1-3-5-12/h6-9,12,15,17,21H,1-5,10-11H2,(H,20,22)
InChIKeyGUMLTAXJKVNOST-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231
4-[[(1-cyclohexyl-3-hydroxypropyl)carbamoylamino]methyl]benzoic acid
CID 122020232
N-(2-amino-1-cyclohexylethyl)-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide;hydrochloride
CID 119591344
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 63478547
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide (CID 75384179) is N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide is O=C(NC(CCO)C1CCCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide?
The InChIKey is GUMLTAXJKVNOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO3/c18-17(19)23-14-8-6-13(7-9-14)16(22)20-15(10-11-21)12-4-2-1-3-5-12/h6-9,12,15,17,21H,1-5,10-11H2,(H,20,22).
What are the key properties of N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide?
N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide has a molecular weight of 327.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 75384179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).