N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide

C15H19FN2O3 — CID 111840919

IUPACN'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
SMILESO=C(Nc1cccc(F)c1)C(=O)NC1CCCCC1CO
InChIInChI=1S/C15H19FN2O3/c16-11-5-3-6-12(8-11)17-14(20)15(21)18-13-7-2-1-4-10(13)9-19/h3,5-6,8,10,13,19H,1-2,4,7,9H2,(H,17,20)(H,18,21)
InChIKeyOKDDVEVVWBNJRP-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.43
Rot. Bonds3

About N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide

N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide (PubChem CID 111840919) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
PubChem CID111840919
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
SMILESO=C(Nc1cccc(F)c1)C(=O)NC1CCCCC1CO
InChIInChI=1S/C15H19FN2O3/c16-11-5-3-6-12(8-11)17-14(20)15(21)18-13-7-2-1-4-10(13)9-19/h3,5-6,8,10,13,19H,1-2,4,7,9H2,(H,17,20)(H,18,21)
InChIKeyOKDDVEVVWBNJRP-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 111840921
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide
CID 97257734
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631108
3-(3-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103774376
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
1-[3-[ethyl(methyl)amino]phenyl]-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 129378352
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840930
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893
1-(2-cyano-4-fluorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111926835

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide (CID 111840919) is N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide is O=C(Nc1cccc(F)c1)C(=O)NC1CCCCC1CO.
What is the InChIKey of N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
The InChIKey is OKDDVEVVWBNJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-11-5-3-6-12(8-11)17-14(20)15(21)18-13-7-2-1-4-10(13)9-19/h3,5-6,8,10,13,19H,1-2,4,7,9H2,(H,17,20)(H,18,21).
What are the key properties of N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide has a molecular weight of 294.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide is sourced from PubChem (CID 111840919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).