8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid

C17H10BrNO5 — CID 71733647

IUPAC8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1
InChIInChI=1S/C17H10BrNO5/c18-10-6-4-9(5-7-10)16(21)19-12-3-1-2-11-13(20)8-14(17(22)23)24-15(11)12/h1-8H,(H,19,21)(H,22,23)
InChIKeyLWTBPAAWGPZGIF-UHFFFAOYSA-N
MW388.17 g/mol
LogP3.51
Rot. Bonds3

About 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid

8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid (PubChem CID 71733647) has the molecular formula C17H10BrNO5 and a molecular weight of 388.17 g/mol. Its IUPAC name is 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
PubChem CID71733647
Molecular FormulaC17H10BrNO5
Molecular Weight388.17 g/mol
Exact Mass386.97
IUPAC Name8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1
InChIInChI=1S/C17H10BrNO5/c18-10-6-4-9(5-7-10)16(21)19-12-3-1-2-11-13(20)8-14(17(22)23)24-15(11)12/h1-8H,(H,19,21)(H,22,23)
InChIKeyLWTBPAAWGPZGIF-UHFFFAOYSA-N
XLogP3.51
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946
8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide
CID 139926820
N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide
CID 139926830
8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid
CID 142544339
8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
CID 142544343
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
methyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926774
pentyl 8-[(4-octoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926778
butyl 8-[(4-heptoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926806
butyl 8-[(4-heptylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926756
ethyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926727
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994

Frequently Asked Questions

What is the IUPAC name of 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid?
The IUPAC name of 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid (CID 71733647) is 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid is O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1.
What is the InChIKey of 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid?
The InChIKey is LWTBPAAWGPZGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO5/c18-10-6-4-9(5-7-10)16(21)19-12-3-1-2-11-13(20)8-14(17(22)23)24-15(11)12/h1-8H,(H,19,21)(H,22,23).
What are the key properties of 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid?
8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid has a molecular weight of 388.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 71733647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).