N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide

C18H19ClN2O2 — CID 40977183

IUPACN'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-12(14-7-4-3-5-8-14)11-20-17(22)18(23)21-16-10-6-9-15(19)13(16)2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyARLIZWZUVAYTRT-LBPRGKRZSA-N
MW330.82 g/mol
LogP3.51
Rot. Bonds4

About N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide (PubChem CID 40977183) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
PubChem CID40977183
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-12(14-7-4-3-5-8-14)11-20-17(22)18(23)21-16-10-6-9-15(19)13(16)2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyARLIZWZUVAYTRT-LBPRGKRZSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798305
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496403
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386
N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
CID 16932117
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
N'-(3-chloro-2-methylphenyl)-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16800022
2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 55430532
2-(4-benzhydrylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 44902567
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide (CID 40977183) is N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
The InChIKey is ARLIZWZUVAYTRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(14-7-4-3-5-8-14)11-20-17(22)18(23)21-16-10-6-9-15(19)13(16)2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide has a molecular weight of 330.82 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide is sourced from PubChem (CID 40977183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).