5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide

C20H12BrClN2O3 — CID 4673919

IUPAC5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(Br)ccc2Cl)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H12BrClN2O3/c1-10-8-16(24-19(25)13-9-11(21)6-7-14(13)22)23-18-12-4-2-3-5-15(12)27-20(26)17(10)18/h2-9H,1H3,(H,23,24,25)
InChIKeyBLWARNZPHCLYOO-UHFFFAOYSA-N
MW443.68 g/mol
LogP5.32
Rot. Bonds2

About 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide

5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (PubChem CID 4673919) has the molecular formula C20H12BrClN2O3 and a molecular weight of 443.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
PubChem CID4673919
Molecular FormulaC20H12BrClN2O3
Molecular Weight443.68 g/mol
Exact Mass441.97
IUPAC Name5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(Br)ccc2Cl)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H12BrClN2O3/c1-10-8-16(24-19(25)13-9-11(21)6-7-14(13)22)23-18-12-4-2-3-5-15(12)27-20(26)17(10)18/h2-9H,1H3,(H,23,24,25)
InChIKeyBLWARNZPHCLYOO-UHFFFAOYSA-N
XLogP5.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 5190785
3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 5152683
2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide
CID 4598501
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110417913
5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
CID 103738286
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-methyl-2-(2-oxochromen-3-yl)chromeno[4,3-b]pyridin-5-one
CID 987607
5-bromo-2-chloro-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 17314213
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (CID 4673919) is 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is Cc1cc(NC(=O)c2cc(Br)ccc2Cl)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The InChIKey is BLWARNZPHCLYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2O3/c1-10-8-16(24-19(25)13-9-11(21)6-7-14(13)22)23-18-12-4-2-3-5-15(12)27-20(26)17(10)18/h2-9H,1H3,(H,23,24,25).
What are the key properties of 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide has a molecular weight of 443.68 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 4673919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).