5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid

C19H14ClNO6 — CID 4912676

IUPAC5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccoc2COc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C19H14ClNO6/c20-11-2-1-3-13(8-11)27-10-17-14(6-7-26-17)18(23)21-12-4-5-16(22)15(9-12)19(24)25/h1-9,22H,10H2,(H,21,23)(H,24,25)
InChIKeyFMCQAOMMQFYTND-UHFFFAOYSA-N
MW387.78 g/mol
LogP4.17
Rot. Bonds6

About 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid

5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid (PubChem CID 4912676) has the molecular formula C19H14ClNO6 and a molecular weight of 387.78 g/mol. Its IUPAC name is 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid
PubChem CID4912676
Molecular FormulaC19H14ClNO6
Molecular Weight387.78 g/mol
Exact Mass387.05
IUPAC Name5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccoc2COc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C19H14ClNO6/c20-11-2-1-3-13(8-11)27-10-17-14(6-7-26-17)18(23)21-12-4-5-16(22)15(9-12)19(24)25/h1-9,22H,10H2,(H,21,23)(H,24,25)
InChIKeyFMCQAOMMQFYTND-UHFFFAOYSA-N
XLogP4.17
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.78
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-[(3-carboxy-4-hydroxyphenyl)carbamoyl]-2,5-bis(phenylmethoxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 156852350
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28670286
2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid
CID 4894470
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 43477550
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82088303
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid
CID 142689339

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid (CID 4912676) is 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)c2ccoc2COc2cccc(Cl)c2)ccc1O.
What is the InChIKey of 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid?
The InChIKey is FMCQAOMMQFYTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO6/c20-11-2-1-3-13(8-11)27-10-17-14(6-7-26-17)18(23)21-12-4-5-16(22)15(9-12)19(24)25/h1-9,22H,10H2,(H,21,23)(H,24,25).
What are the key properties of 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid?
5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid has a molecular weight of 387.78 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 4912676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).