5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid

C13H10N2O5 — CID 104607017

IUPAC5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C13H10N2O5/c14-11(16)7-1-3-9(4-2-7)15-12(17)10-5-8(6-20-10)13(18)19/h1-6H,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyIKFIVTVJUWAKHR-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.33
Rot. Bonds4

About 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid

5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607017) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607017
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C13H10N2O5/c14-11(16)7-1-3-9(4-2-7)15-12(17)10-5-8(6-20-10)13(18)19/h1-6H,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyIKFIVTVJUWAKHR-UHFFFAOYSA-N
XLogP1.33
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607090
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
5-[(3-bromophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607089
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 104606992
5-(1,3-benzodioxol-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104606905
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
CID 138043271
5-[(3-chloro-4-cyanophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607066
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid (CID 104607017) is 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid is NC(=O)c1ccc(NC(=O)c2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is IKFIVTVJUWAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c14-11(16)7-1-3-9(4-2-7)15-12(17)10-5-8(6-20-10)13(18)19/h1-6H,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).