N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide

C18H19ClN2O3 — CID 95775664

IUPACN-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-7-8-12(2)15(9-11)21-18(24)17(23)20-10-16(22)13-5-3-4-6-14(13)19/h3-9,16,22H,10H2,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyNALIIYJZKVWOPH-MRXNPFEDSA-N
MW346.81 g/mol
LogP2.75
Rot. Bonds4

About N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide

N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide (PubChem CID 95775664) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
PubChem CID95775664
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-11-7-8-12(2)15(9-11)21-18(24)17(23)20-10-16(22)13-5-3-4-6-14(13)19/h3-9,16,22H,10H2,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyNALIIYJZKVWOPH-MRXNPFEDSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.75
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-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90581652
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 90582021
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121500
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 51943967
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311
(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9307161

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide (CID 95775664) is N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)c1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide?
The InChIKey is NALIIYJZKVWOPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-7-8-12(2)15(9-11)21-18(24)17(23)20-10-16(22)13-5-3-4-6-14(13)19/h3-9,16,22H,10H2,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide?
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide has a molecular weight of 346.81 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide is sourced from PubChem (CID 95775664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).