5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid

C20H17NO6 — CID 23967867

IUPAC5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1OC
InChIInChI=1S/C20H17NO6/c1-25-16-8-5-13(11-18(16)26-2)19(22)21-14-6-3-12(4-7-14)15-9-10-17(27-15)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyCCZWTBAQMNAYPR-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.91
Rot. Bonds6

About 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid

5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid (PubChem CID 23967867) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
PubChem CID23967867
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1OC
InChIInChI=1S/C20H17NO6/c1-25-16-8-5-13(11-18(16)26-2)19(22)21-14-6-3-12(4-7-14)15-9-10-17(27-15)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyCCZWTBAQMNAYPR-UHFFFAOYSA-N
XLogP3.91
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide
CID 1150730
5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid
CID 69466458
methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
CID 175731652
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid (CID 23967867) is 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid is COc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1OC.
What is the InChIKey of 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid?
The InChIKey is CCZWTBAQMNAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-25-16-8-5-13(11-18(16)26-2)19(22)21-14-6-3-12(4-7-14)15-9-10-17(27-15)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid?
5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid has a molecular weight of 367.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 23967867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).