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

C19H14ClNO6 — CID 4894470

IUPAC2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1NC(=O)c1ccoc1COc1ccccc1Cl
InChIInChI=1S/C19H14ClNO6/c20-14-3-1-2-4-16(14)27-10-17-12(7-8-26-17)18(23)21-15-6-5-11(22)9-13(15)19(24)25/h1-9,22H,10H2,(H,21,23)(H,24,25)
InChIKeyJCOQUQNTFPWZLH-UHFFFAOYSA-N
MW387.78 g/mol
LogP4.17
Rot. Bonds6

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

2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid (PubChem CID 4894470) has the molecular formula C19H14ClNO6 and a molecular weight of 387.78 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid
PubChem CID4894470
Molecular FormulaC19H14ClNO6
Molecular Weight387.78 g/mol
Exact Mass387.05
IUPAC Name2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1NC(=O)c1ccoc1COc1ccccc1Cl
InChIInChI=1S/C19H14ClNO6/c20-14-3-1-2-4-16(14)27-10-17-12(7-8-26-17)18(23)21-15-6-5-11(22)9-13(15)19(24)25/h1-9,22H,10H2,(H,21,23)(H,24,25)
InChIKeyJCOQUQNTFPWZLH-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': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 116690676
5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid
CID 4912676
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
N-[2-[[3-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63575847
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carboxylic acid
CID 43394473
2-[(2-chloro-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394454
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid (CID 4894470) is 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid is O=C(O)c1cc(O)ccc1NC(=O)c1ccoc1COc1ccccc1Cl.
What is the InChIKey of 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid?
The InChIKey is JCOQUQNTFPWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO6/c20-14-3-1-2-4-16(14)27-10-17-12(7-8-26-17)18(23)21-15-6-5-11(22)9-13(15)19(24)25/h1-9,22H,10H2,(H,21,23)(H,24,25).
What are the key properties of 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid?
2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-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 2-[[2-[(2-chlorophenoxy)methyl]furan-3-carbonyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 4894470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).