N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide

C15H12ClNO3 — CID 81263552

IUPACN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Cl)cc1C#CCO
InChIInChI=1S/C15H12ClNO3/c1-10-13(6-8-20-10)15(19)17-14-5-4-12(16)9-11(14)3-2-7-18/h4-6,8-9,18H,7H2,1H3,(H,17,19)
InChIKeyAELXNEYKCLIQDR-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.84
Rot. Bonds2

About N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide

N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 81263552) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID81263552
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC NameN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Cl)cc1C#CCO
InChIInChI=1S/C15H12ClNO3/c1-10-13(6-8-20-10)15(19)17-14-5-4-12(16)9-11(14)3-2-7-18/h4-6,8-9,18H,7H2,1H3,(H,17,19)
InChIKeyAELXNEYKCLIQDR-UHFFFAOYSA-N
XLogP2.84
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.84
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-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-3-carboxamide
CID 81263641
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81252736
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 60804499
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 81262734
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybutanamide
CID 81263304
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 81262739
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide (CID 81263552) is N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(Cl)cc1C#CCO.
What is the InChIKey of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is AELXNEYKCLIQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-10-13(6-8-20-10)15(19)17-14-5-4-12(16)9-11(14)3-2-7-18/h4-6,8-9,18H,7H2,1H3,(H,17,19).
What are the key properties of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 81263552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).