N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide

C14H17ClN2O3 — CID 167937524

IUPACN-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N(CCO)C2CC2)c1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-11(12(9)15)16-13(19)14(20)17(7-8-18)10-5-6-10/h2-4,10,18H,5-8H2,1H3,(H,16,19)
InChIKeyUHXJHHUGYLYURG-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.57
Rot. Bonds4

About N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide

N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide (PubChem CID 167937524) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide
PubChem CID167937524
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N(CCO)C2CC2)c1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-11(12(9)15)16-13(19)14(20)17(7-8-18)10-5-6-10/h2-4,10,18H,5-8H2,1H3,(H,16,19)
InChIKeyUHXJHHUGYLYURG-UHFFFAOYSA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 53901
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Acetanilide, 2'-chloro-2-(diethylamino)-5'-ethyl-
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m-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride
CID 53893
4-Morpholineacetanilide, 2'-chloro-5'-ethyl-
CID 201028
N-(2-chlorophenyl)-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
CID 42918196
N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 47092374
N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide
CID 75381842
Cambridge id 5925621
CID 2222940
N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
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CID 2218046

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide (CID 167937524) is N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide is Cc1cccc(NC(=O)C(=O)N(CCO)C2CC2)c1Cl.
What is the InChIKey of N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide?
The InChIKey is UHXJHHUGYLYURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-3-2-4-11(12(9)15)16-13(19)14(20)17(7-8-18)10-5-6-10/h2-4,10,18H,5-8H2,1H3,(H,16,19).
What are the key properties of N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide?
N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide has a molecular weight of 296.75 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 167937524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).