4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid

C15H15NO4 — CID 43351217

IUPAC4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)o1
InChIInChI=1S/C15H15NO4/c1-3-11-5-7-13(20-11)14(17)16-12-6-4-10(15(18)19)8-9(12)2/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGWHBDYHLHXRNB-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.10
Rot. Bonds4

About 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid

4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 43351217) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
PubChem CID43351217
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)o1
InChIInChI=1S/C15H15NO4/c1-3-11-5-7-13(20-11)14(17)16-12-6-4-10(15(18)19)8-9(12)2/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGWHBDYHLHXRNB-UHFFFAOYSA-N
XLogP3.10
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 79094339
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid
CID 43172269
4-[[4-(chloromethyl)benzoyl]amino]-3-methylbenzoic acid
CID 43701836
4-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-3-methylbenzoic acid
CID 28669670
5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide
CID 79085708
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880744
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
CID 79095779
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid (CID 43351217) is 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid is CCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)o1.
What is the InChIKey of 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is HGWHBDYHLHXRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-11-5-7-13(20-11)14(17)16-12-6-4-10(15(18)19)8-9(12)2/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid?
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 273.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 43351217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).