N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide

C15H19ClN2O3 — CID 111798227

IUPACN'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1CCCCC1O
InChIInChI=1S/C15H19ClN2O3/c1-9-8-10(16)6-7-11(9)17-14(20)15(21)18-12-4-2-3-5-13(12)19/h6-8,12-13,19H,2-5H2,1H3,(H,17,20)(H,18,21)
InChIKeyLABWOKIROLJZHS-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.01
Rot. Bonds2

About N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide

N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide (PubChem CID 111798227) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
PubChem CID111798227
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1CCCCC1O
InChIInChI=1S/C15H19ClN2O3/c1-9-8-10(16)6-7-11(9)17-14(20)15(21)18-12-4-2-3-5-13(12)19/h6-8,12-13,19H,2-5H2,1H3,(H,17,20)(H,18,21)
InChIKeyLABWOKIROLJZHS-UHFFFAOYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.01
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

2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840930
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
CID 111798362
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265532
ethyl 4-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108524123
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
CID 800427
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
CID 3593007
N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
CID 47224422
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide (CID 111798227) is N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NC1CCCCC1O.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide?
The InChIKey is LABWOKIROLJZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-8-10(16)6-7-11(9)17-14(20)15(21)18-12-4-2-3-5-13(12)19/h6-8,12-13,19H,2-5H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide?
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide has a molecular weight of 310.78 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide is sourced from PubChem (CID 111798227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).