5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide

C14H14ClNO4 — CID 103800995

IUPAC5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(Cl)o2)ccc1O
InChIInChI=1S/C14H14ClNO4/c1-16(14(18)11-5-6-13(15)20-11)8-9-3-4-10(17)12(7-9)19-2/h3-7,17H,8H2,1-2H3
InChIKeyYLSSFGYEESFAJV-UHFFFAOYSA-N
MW295.72 g/mol
LogP2.92
Rot. Bonds4

About 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide

5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 103800995) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID103800995
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(Cl)o2)ccc1O
InChIInChI=1S/C14H14ClNO4/c1-16(14(18)11-5-6-13(15)20-11)8-9-3-4-10(17)12(7-9)19-2/h3-7,17H,8H2,1-2H3
InChIKeyYLSSFGYEESFAJV-UHFFFAOYSA-N
XLogP2.92
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 60728988
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103801002
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide (CID 103800995) is 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide is COc1cc(CN(C)C(=O)c2ccc(Cl)o2)ccc1O.
What is the InChIKey of 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is YLSSFGYEESFAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-16(14(18)11-5-6-13(15)20-11)8-9-3-4-10(17)12(7-9)19-2/h3-7,17H,8H2,1-2H3.
What are the key properties of 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide?
5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 295.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 103800995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).