N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide

C14H17ClN2O3 — CID 111798802

IUPACN-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)NC(CCO)C1CC1
InChIInChI=1S/C14H17ClN2O3/c15-10-2-1-3-11(8-10)16-13(19)14(20)17-12(6-7-18)9-4-5-9/h1-3,8-9,12,18H,4-7H2,(H,16,19)(H,17,20)
InChIKeyIJGZBNMIWWMYHA-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.56
Rot. Bonds5

About N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide

N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide (PubChem CID 111798802) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
PubChem CID111798802
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)NC(CCO)C1CC1
InChIInChI=1S/C14H17ClN2O3/c15-10-2-1-3-11(8-10)16-13(19)14(20)17-12(6-7-18)9-4-5-9/h1-3,8-9,12,18H,4-7H2,(H,16,19)(H,17,20)
InChIKeyIJGZBNMIWWMYHA-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.56
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-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
N-(3-chlorophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetamide
CID 63298595
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296
N-(3-chlorophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019344
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491126
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide (CID 111798802) is N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide is O=C(Nc1cccc(Cl)c1)C(=O)NC(CCO)C1CC1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide?
The InChIKey is IJGZBNMIWWMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-2-1-3-11(8-10)16-13(19)14(20)17-12(6-7-18)9-4-5-9/h1-3,8-9,12,18H,4-7H2,(H,16,19)(H,17,20).
What are the key properties of N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide?
N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide has a molecular weight of 296.75 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide is sourced from PubChem (CID 111798802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).