N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide

C15H18ClFN2O3 — CID 111490664

IUPACN'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
SMILESO=C(NCC1CCCC(O)C1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN2O3/c16-10-4-5-13(12(17)7-10)19-15(22)14(21)18-8-9-2-1-3-11(20)6-9/h4-5,7,9,11,20H,1-3,6,8H2,(H,18,21)(H,19,22)
InChIKeyNNSXZDJPQQOLFB-UHFFFAOYSA-N
MW328.77 g/mol
LogP2.08
Rot. Bonds3

About N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide

N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide (PubChem CID 111490664) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
PubChem CID111490664
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
SMILESO=C(NCC1CCCC(O)C1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN2O3/c16-10-4-5-13(12(17)7-10)19-15(22)14(21)18-8-9-2-1-3-11(20)6-9/h4-5,7,9,11,20H,1-3,6,8H2,(H,18,21)(H,19,22)
InChIKeyNNSXZDJPQQOLFB-UHFFFAOYSA-N
XLogP2.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 52.08
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

4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
CID 111490653
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474346
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505263
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide (CID 111490664) is N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide is O=C(NCC1CCCC(O)C1)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
The InChIKey is NNSXZDJPQQOLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c16-10-4-5-13(12(17)7-10)19-15(22)14(21)18-8-9-2-1-3-11(20)6-9/h4-5,7,9,11,20H,1-3,6,8H2,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide has a molecular weight of 328.77 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide is sourced from PubChem (CID 111490664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).