N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide

C18H19ClN2O3 — CID 111799086

IUPACN-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c19-14-8-4-9-15(12-14)20-17(23)18(24)21-16(10-5-11-22)13-6-2-1-3-7-13/h1-4,6-9,12,16,22H,5,10-11H2,(H,20,23)(H,21,24)
InChIKeyYIHDGHCHZMRZHP-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.91
Rot. Bonds6

About N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide

N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide (PubChem CID 111799086) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
PubChem CID111799086
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c19-14-8-4-9-15(12-14)20-17(23)18(24)21-16(10-5-11-22)13-6-2-1-3-7-13/h1-4,6-9,12,16,22H,5,10-11H2,(H,20,23)(H,21,24)
InChIKeyYIHDGHCHZMRZHP-UHFFFAOYSA-N
XLogP2.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
CID 97014806
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
CID 111798802
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254796
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide (CID 111799086) is N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide is O=C(Nc1cccc(Cl)c1)C(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide?
The InChIKey is YIHDGHCHZMRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-14-8-4-9-15(12-14)20-17(23)18(24)21-16(10-5-11-22)13-6-2-1-3-7-13/h1-4,6-9,12,16,22H,5,10-11H2,(H,20,23)(H,21,24).
What are the key properties of N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide?
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide has a molecular weight of 346.81 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide is sourced from PubChem (CID 111799086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).