N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide

C12H15ClN2O4 — CID 51471617

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)O
InChIInChI=1S/C12H15ClN2O4/c1-7(16)6-14-11(17)12(18)15-9-5-8(13)3-4-10(9)19-2/h3-5,7,16H,6H2,1-2H3,(H,14,17)(H,15,18)/t7-/m0/s1
InChIKeySYZLRPAXWZOICN-ZETCQYMHSA-N
MW286.72 g/mol
LogP0.78
Rot. Bonds4

About N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide

N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide (PubChem CID 51471617) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
PubChem CID51471617
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)O
InChIInChI=1S/C12H15ClN2O4/c1-7(16)6-14-11(17)12(18)15-9-5-8(13)3-4-10(9)19-2/h3-5,7,16H,6H2,1-2H3,(H,14,17)(H,15,18)/t7-/m0/s1
InChIKeySYZLRPAXWZOICN-ZETCQYMHSA-N
XLogP0.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 121145738
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984763

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide (CID 51471617) is N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)O.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The InChIKey is SYZLRPAXWZOICN-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-7(16)6-14-11(17)12(18)15-9-5-8(13)3-4-10(9)19-2/h3-5,7,16H,6H2,1-2H3,(H,14,17)(H,15,18)/t7-/m0/s1.
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide has a molecular weight of 286.72 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 51471617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).