3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid

C19H15NO4 — CID 164614593

IUPAC3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccoc3)c2)cc1
InChIInChI=1S/C19H15NO4/c1-12-2-4-13(5-3-12)18(21)20-17-9-15(14-6-7-24-11-14)8-16(10-17)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyVMQDAJATCZFSSP-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.21
Rot. Bonds4

About 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid

3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 164614593) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid
PubChem CID164614593
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccoc3)c2)cc1
InChIInChI=1S/C19H15NO4/c1-12-2-4-13(5-3-12)18(21)20-17-9-15(14-6-7-24-11-14)8-16(10-17)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyVMQDAJATCZFSSP-UHFFFAOYSA-N
XLogP4.21
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[3-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 673109
3-[(4-Butoxybenzoyl)amino]benzoic acid
CID 1712309
Benzamide, N-(2-amino-5-(3-furanyl)phenyl)-
CID 46830327
N-(2-amino-5-(furan-2-yl)phenyl)benzamide
CID 46830328
[2-(2-Butan-2-ylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4365273
Ethyl 4-{[5-(furan-2-yl)-3-oxocyclohex-1-en-1-yl]amino}benzoate
CID 2878114
4-[(5-Methyl-2-phenyl-furan-3-carbonyl)-amino]-benzoic acid
CID 603778
butyl 4-{[(2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino}benzoate
CID 6162538
3-{3-[(2-Methyl-5-phenyl-furan-3-carbonyl)-amino]-phenyl}-acrylic acid
CID 2258032
3-[[(5-Acetyl-2-ethoxyphenyl)amino]carbonyl]-5-(3-furanyl)benzoic acid
CID 81689862
N-(6,7,8,9-Tetrahydro-dibenzofuran-2-yl)-succinamic acid methyl ester
CID 6485557
3-[(2-Methyl-5-phenyl-3-furoyl)amino]benzoic acid
CID 973122

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid (CID 164614593) is 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccoc3)c2)cc1.
What is the InChIKey of 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is VMQDAJATCZFSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12-2-4-13(5-3-12)18(21)20-17-9-15(14-6-7-24-11-14)8-16(10-17)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid?
3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 321.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 164614593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).