N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide

C15H16ClNO3 — CID 81264318

IUPACN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCCO)C1CCCO1
InChIInChI=1S/C15H16ClNO3/c16-12-6-7-13(11(10-12)4-1-2-8-18)17-15(19)14-5-3-9-20-14/h6-7,10,14,18H,2-3,5,8-9H2,(H,17,19)
InChIKeyYRSVFDGMMRVWLL-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.19
Rot. Bonds3

About N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide

N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide (PubChem CID 81264318) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
PubChem CID81264318
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC NameN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCCO)C1CCCO1
InChIInChI=1S/C15H16ClNO3/c16-12-6-7-13(11(10-12)4-1-2-8-18)17-15(19)14-5-3-9-20-14/h6-7,10,14,18H,2-3,5,8-9H2,(H,17,19)
InChIKeyYRSVFDGMMRVWLL-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide 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-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-2-carboxamide
CID 62214635
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 81263993
1-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-3-cyclobutylurea
CID 116658773
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 81263564
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-1,4-dioxane-2-carboxamide
CID 81270841
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]-1,4-dioxane-2-carboxamide
CID 82747691
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922441
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide
CID 102821119

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide (CID 81264318) is N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(Cl)cc1C#CCCO)C1CCCO1.
What is the InChIKey of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide?
The InChIKey is YRSVFDGMMRVWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-12-6-7-13(11(10-12)4-1-2-8-18)17-15(19)14-5-3-9-20-14/h6-7,10,14,18H,2-3,5,8-9H2,(H,17,19).
What are the key properties of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide?
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 81264318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).