8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid

C17H8Cl2FNO5 — CID 71733650

IUPAC8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H8Cl2FNO5/c18-10-2-1-7(3-11(10)19)16(23)21-12-5-8(20)4-9-13(22)6-14(17(24)25)26-15(9)12/h1-6H,(H,21,23)(H,24,25)
InChIKeyFKKZFNANBDRYQO-UHFFFAOYSA-N
MW396.16 g/mol
LogP4.19
Rot. Bonds3

About 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid

8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid (PubChem CID 71733650) has the molecular formula C17H8Cl2FNO5 and a molecular weight of 396.16 g/mol. Its IUPAC name is 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid
PubChem CID71733650
Molecular FormulaC17H8Cl2FNO5
Molecular Weight396.16 g/mol
Exact Mass394.98
IUPAC Name8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H8Cl2FNO5/c18-10-2-1-7(3-11(10)19)16(23)21-12-5-8(20)4-9-13(22)6-14(17(24)25)26-15(9)12/h1-6H,(H,21,23)(H,24,25)
InChIKeyFKKZFNANBDRYQO-UHFFFAOYSA-N
XLogP4.19
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid
CID 142544339
8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
CID 71733647
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
CID 142544343
3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28668233
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107530858
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
CID 82683921
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid?
The IUPAC name of 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid (CID 71733650) is 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid is O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid?
The InChIKey is FKKZFNANBDRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2FNO5/c18-10-2-1-7(3-11(10)19)16(23)21-12-5-8(20)4-9-13(22)6-14(17(24)25)26-15(9)12/h1-6H,(H,21,23)(H,24,25).
What are the key properties of 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid?
8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid has a molecular weight of 396.16 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 71733650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).