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

C14H10N2O4 — CID 104607480

IUPAC5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C14H10N2O4/c1-8-2-3-9(6-15)4-11(8)16-13(17)12-5-10(7-20-12)14(18)19/h2-5,7H,1H3,(H,16,17)(H,18,19)
InChIKeyDWOFOJNLPUHWGN-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.41
Rot. Bonds3

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

5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607480) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607480
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C14H10N2O4/c1-8-2-3-9(6-15)4-11(8)16-13(17)12-5-10(7-20-12)14(18)19/h2-5,7H,1H3,(H,16,17)(H,18,19)
InChIKeyDWOFOJNLPUHWGN-UHFFFAOYSA-N
XLogP2.41
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607108
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(5-cyano-2-methylphenyl)-3-hydroxypyridine-2-carboxamide
CID 62103587
5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 107593473
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid (CID 104607480) is 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid is Cc1ccc(C#N)cc1NC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is DWOFOJNLPUHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-8-2-3-9(6-15)4-11(8)16-13(17)12-5-10(7-20-12)14(18)19/h2-5,7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).