N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide

C12H15ClN2O3 — CID 51471613

IUPACN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
SMILESC[C@@H](O)CNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-8(16)6-14-11(17)12(18)15-7-9-4-2-3-5-10(9)13/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKeyCCHZJCWMOBIHAG-MRVPVSSYSA-N
MW270.72 g/mol
LogP0.45
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide (PubChem CID 51471613) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
PubChem CID51471613
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
SMILESC[C@@H](O)CNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-8(16)6-14-11(17)12(18)15-7-9-4-2-3-5-10(9)13/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKeyCCHZJCWMOBIHAG-MRVPVSSYSA-N
XLogP0.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.45
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-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 71781641
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506189
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide
CID 89250743
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 109468488
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide (CID 51471613) is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide is C[C@@H](O)CNC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
The InChIKey is CCHZJCWMOBIHAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(16)6-14-11(17)12(18)15-7-9-4-2-3-5-10(9)13/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide has a molecular weight of 270.72 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 51471613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).