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

C15H12ClNO3 — CID 62914509

IUPACN-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(C#CCCO)ccc1Cl)c1ccoc1
InChIInChI=1S/C15H12ClNO3/c16-13-5-4-11(3-1-2-7-18)9-14(13)17-15(19)12-6-8-20-10-12/h4-6,8-10,18H,2,7H2,(H,17,19)
InChIKeyYDXHHUZBQGHYHY-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.92
Rot. Bonds3

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

N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide (PubChem CID 62914509) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
PubChem CID62914509
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC NameN-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(C#CCCO)ccc1Cl)c1ccoc1
InChIInChI=1S/C15H12ClNO3/c16-13-5-4-11(3-1-2-7-18)9-14(13)17-15(19)12-6-8-20-10-12/h4-6,8-10,18H,2,7H2,(H,17,19)
InChIKeyYDXHHUZBQGHYHY-UHFFFAOYSA-N
XLogP2.92
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.92
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

2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688723
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62914325
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-3-methylbutanamide
CID 62914499
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 62915604
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 62915609
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
CID 60804299
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 63334275
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348490
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 62915775

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide (CID 62914509) is N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide is O=C(Nc1cc(C#CCCO)ccc1Cl)c1ccoc1.
What is the InChIKey of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The InChIKey is YDXHHUZBQGHYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-13-5-4-11(3-1-2-7-18)9-14(13)17-15(19)12-6-8-20-10-12/h4-6,8-10,18H,2,7H2,(H,17,19).
What are the key properties of N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 62914509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).