5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide

C19H16ClNO4 — CID 99703143

IUPAC5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1CO
InChIInChI=1S/C19H16ClNO4/c1-24-16-7-6-13(10-12(16)11-22)21-19(23)18-9-8-17(25-18)14-4-2-3-5-15(14)20/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyXTIFOSVBTOQTLS-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.35
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide (PubChem CID 99703143) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
PubChem CID99703143
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1CO
InChIInChI=1S/C19H16ClNO4/c1-24-16-7-6-13(10-12(16)11-22)21-19(23)18-9-8-17(25-18)14-4-2-3-5-15(14)20/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyXTIFOSVBTOQTLS-UHFFFAOYSA-N
XLogP4.35
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 8869966
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
CID 1422030
N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]-5-(2-chlorophenyl)furan-2-carboxamide
CID 17092847
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
CID 86872698
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide (CID 99703143) is 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1CO.
What is the InChIKey of 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide?
The InChIKey is XTIFOSVBTOQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-24-16-7-6-13(10-12(16)11-22)21-19(23)18-9-8-17(25-18)14-4-2-3-5-15(14)20/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide has a molecular weight of 357.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 99703143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).