7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide

C17H11BrClNO4 — CID 35180956

IUPAC7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1Cl
InChIInChI=1S/C17H11BrClNO4/c1-23-14-5-3-10(7-12(14)19)20-17(22)16-8-13(21)11-4-2-9(18)6-15(11)24-16/h2-8H,1H3,(H,20,22)
InChIKeyROPMDTAKYZQURE-UHFFFAOYSA-N
MW408.64 g/mol
LogP4.47
Rot. Bonds3

About 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide

7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide (PubChem CID 35180956) has the molecular formula C17H11BrClNO4 and a molecular weight of 408.64 g/mol. Its IUPAC name is 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
PubChem CID35180956
Molecular FormulaC17H11BrClNO4
Molecular Weight408.64 g/mol
Exact Mass406.96
IUPAC Name7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1Cl
InChIInChI=1S/C17H11BrClNO4/c1-23-14-5-3-10(7-12(14)19)20-17(22)16-8-13(21)11-4-2-9(18)6-15(11)24-16/h2-8H,1H3,(H,20,22)
InChIKeyROPMDTAKYZQURE-UHFFFAOYSA-N
XLogP4.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.64
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
N-(3-chloro-4-methoxyphenyl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172905498
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide
CID 154874451
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-oxochromene-2-carboxylate
CID 2417094
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 1116370
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149322
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide (CID 35180956) is 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide is COc1ccc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1Cl.
What is the InChIKey of 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is ROPMDTAKYZQURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO4/c1-23-14-5-3-10(7-12(14)19)20-17(22)16-8-13(21)11-4-2-9(18)6-15(11)24-16/h2-8H,1H3,(H,20,22).
What are the key properties of 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 408.64 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35180956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).