5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid

C14H12ClNO4 — CID 104607255

IUPAC5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C14H12ClNO4/c1-16(7-9-3-2-4-11(15)5-9)13(17)12-6-10(8-20-12)14(18)19/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyYXPBYPIXJSNVBH-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.90
Rot. Bonds4

About 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid

5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607255) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607255
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C14H12ClNO4/c1-16(7-9-3-2-4-11(15)5-9)13(17)12-6-10(8-20-12)14(18)19/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyYXPBYPIXJSNVBH-UHFFFAOYSA-N
XLogP2.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044846
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
4-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302188
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 107261420
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
4,5-dichloro-N-[(3-chlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 86915193

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid (CID 104607255) is 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid is CN(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is YXPBYPIXJSNVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-16(7-9-3-2-4-11(15)5-9)13(17)12-6-10(8-20-12)14(18)19/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid?
5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).