N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide

C17H17ClN2O3 — CID 97014806

IUPACN-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)19-16(22)17(23)20-15(10-11-21)12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyUWBLRWADYUAJOL-OAHLLOKOSA-N
MW332.79 g/mol
LogP2.52
Rot. Bonds5

About N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide

N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide (PubChem CID 97014806) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
PubChem CID97014806
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)19-16(22)17(23)20-15(10-11-21)12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyUWBLRWADYUAJOL-OAHLLOKOSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.52
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

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798305
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798272
N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 86807653
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
1-(4-chloro-3-nitrophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452733
[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254796
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide (CID 97014806) is N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide is O=C(Nc1ccc(Cl)cc1)C(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide?
The InChIKey is UWBLRWADYUAJOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)19-16(22)17(23)20-15(10-11-21)12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,22)(H,20,23)/t15-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide?
N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide is sourced from PubChem (CID 97014806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).