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

C15H12ClNO3 — CID 60802446

IUPAC5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H12ClNO3/c1-10-9-11(3-2-8-18)4-5-12(10)17-15(19)13-6-7-14(16)20-13/h4-7,9,18H,8H2,1H3,(H,17,19)
InChIKeyDEYREYCMEAOLDS-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.84
Rot. Bonds2

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

5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 60802446) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID60802446
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(C#CCO)ccc1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H12ClNO3/c1-10-9-11(3-2-8-18)4-5-12(10)17-15(19)13-6-7-14(16)20-13/h4-7,9,18H,8H2,1H3,(H,17,19)
InChIKeyDEYREYCMEAOLDS-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

5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 79094339
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81263366
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]thiadiazole-5-carboxamide
CID 65215724
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 62915057
2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid
CID 28791203
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
CID 60802341
5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)furan-2-carboxamide
CID 113290206
N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
CID 113231347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide (CID 60802446) is 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide is Cc1cc(C#CCO)ccc1NC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is DEYREYCMEAOLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-10-9-11(3-2-8-18)4-5-12(10)17-15(19)13-6-7-14(16)20-13/h4-7,9,18H,8H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide?
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-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 5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 60802446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).