N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide

C17H17ClN2O3 — CID 47671695

IUPACN-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-11(10-12-2-8-15(21)9-3-12)19-16(22)17(23)20-14-6-4-13(18)5-7-14/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyDYWKXFBSTRNHIF-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.73
Rot. Bonds4

About N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide

N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide (PubChem CID 47671695) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide
PubChem CID47671695
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-11(10-12-2-8-15(21)9-3-12)19-16(22)17(23)20-14-6-4-13(18)5-7-14/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyDYWKXFBSTRNHIF-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide (CID 47671695) is N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide is CC(Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide?
The InChIKey is DYWKXFBSTRNHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11(10-12-2-8-15(21)9-3-12)19-16(22)17(23)20-14-6-4-13(18)5-7-14/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide?
N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[1-(4-hydroxyphenyl)propan-2-yl]oxamide is sourced from PubChem (CID 47671695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).