N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

C18H19ClN2O3 — CID 56765311

IUPACN'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12-7-8-14(19)10-16(12)21-18(24)17(23)20-11-15(22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyMDPAFCPEKWOFJW-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.31
Rot. Bonds5

About N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (PubChem CID 56765311) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
PubChem CID56765311
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12-7-8-14(19)10-16(12)21-18(24)17(23)20-11-15(22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyMDPAFCPEKWOFJW-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.31
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'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 3810031
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 42265452
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (CID 56765311) is N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The InChIKey is MDPAFCPEKWOFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-7-8-14(19)10-16(12)21-18(24)17(23)20-11-15(22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide has a molecular weight of 346.81 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide is sourced from PubChem (CID 56765311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).