5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid

C13H10ClNO4 — CID 106704067

IUPAC5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)c2cc(C(=O)O)co2)c1
InChIInChI=1S/C13H10ClNO4/c1-7-2-3-9(14)10(4-7)15-12(16)11-5-8(6-19-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyOYLGONBKLVWNNE-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.19
Rot. Bonds3

About 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid

5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 106704067) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID106704067
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)c2cc(C(=O)O)co2)c1
InChIInChI=1S/C13H10ClNO4/c1-7-2-3-9(14)10(4-7)15-12(16)11-5-8(6-19-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyOYLGONBKLVWNNE-UHFFFAOYSA-N
XLogP3.19
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607536
5-[(4-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432204
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432385
5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607108
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109
5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607480
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid (CID 106704067) is 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid is Cc1ccc(Cl)c(NC(=O)c2cc(C(=O)O)co2)c1.
What is the InChIKey of 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is OYLGONBKLVWNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-7-2-3-9(14)10(4-7)15-12(16)11-5-8(6-19-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 106704067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).