2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide

C16H14ClNO3 — CID 106688725

IUPAC2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2Cl)cc1C#CCCO
InChIInChI=1S/C16H14ClNO3/c1-11-5-6-13(10-12(11)4-2-3-8-19)18-16(20)14-7-9-21-15(14)17/h5-7,9-10,19H,3,8H2,1H3,(H,18,20)
InChIKeyWZAXQFPJILIAJT-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide

2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide (PubChem CID 106688725) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
PubChem CID106688725
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2Cl)cc1C#CCCO
InChIInChI=1S/C16H14ClNO3/c1-11-5-6-13(10-12(11)4-2-3-8-19)18-16(20)14-7-9-21-15(14)17/h5-7,9-10,19H,3,8H2,1H3,(H,18,20)
InChIKeyWZAXQFPJILIAJT-UHFFFAOYSA-N
XLogP3.23
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-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

2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688742
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 63334275
2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688723
ethyl N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]carbamate
CID 55201745
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
1-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 63333834
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60804766
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 63334167
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methylsulfanylpropanamide
CID 55201169
2-tert-butylsulfanyl-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 63334317
(E)-3-[5-[(2-chlorofuran-3-carbonyl)amino]-2-methylphenyl]prop-2-enoic acid
CID 106689551
2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide (CID 106688725) is 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide is Cc1ccc(NC(=O)c2ccoc2Cl)cc1C#CCCO.
What is the InChIKey of 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The InChIKey is WZAXQFPJILIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-5-6-13(10-12(11)4-2-3-8-19)18-16(20)14-7-9-21-15(14)17/h5-7,9-10,19H,3,8H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide is sourced from PubChem (CID 106688725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).