2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide

C15H11Cl2NO3 — CID 106688723

IUPAC2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(C#CCCO)ccc1Cl)c1ccoc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-12-5-4-10(3-1-2-7-19)9-13(12)18-15(20)11-6-8-21-14(11)17/h4-6,8-9,19H,2,7H2,(H,18,20)
InChIKeyMAJMEJFGIWNBMN-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.57
Rot. Bonds3

About 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide

2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide (PubChem CID 106688723) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
PubChem CID106688723
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(C#CCCO)ccc1Cl)c1ccoc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-12-5-4-10(3-1-2-7-19)9-13(12)18-15(20)11-6-8-21-14(11)17/h4-6,8-9,19H,2,7H2,(H,18,20)
InChIKeyMAJMEJFGIWNBMN-UHFFFAOYSA-N
XLogP3.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 62914509
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62914325
2-chloro-N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]furan-3-carboxamide
CID 106688717
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 62915609
2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 106688725
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777
2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688742
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-3-methylbutanamide
CID 62914499
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 62915604
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide (CID 106688723) is 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide is O=C(Nc1cc(C#CCCO)ccc1Cl)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The InChIKey is MAJMEJFGIWNBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-12-5-4-10(3-1-2-7-19)9-13(12)18-15(20)11-6-8-21-14(11)17/h4-6,8-9,19H,2,7H2,(H,18,20).
What are the key properties of 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide has a molecular weight of 324.16 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106688723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).