6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide

C24H19BrN2O4 — CID 35218231

IUPAC6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2cccc(OC)c2)cc1
InChIInChI=1S/C24H19BrN2O4/c1-29-19-9-7-17(8-10-19)26-23(28)21-13-15-12-16(25)6-11-22(15)31-24(21)27-18-4-3-5-20(14-18)30-2/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyIPIBOCBUCCWCJO-PNHLSOANSA-N
MW479.33 g/mol
LogP5.70
Rot. Bonds5

About 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide

6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide (PubChem CID 35218231) has the molecular formula C24H19BrN2O4 and a molecular weight of 479.33 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
PubChem CID35218231
Molecular FormulaC24H19BrN2O4
Molecular Weight479.33 g/mol
Exact Mass478.05
IUPAC Name6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2cccc(OC)c2)cc1
InChIInChI=1S/C24H19BrN2O4/c1-29-19-9-7-17(8-10-19)26-23(28)21-13-15-12-16(25)6-11-22(15)31-24(21)27-18-4-3-5-20(14-18)30-2/h3-14H,1-2H3,(H,26,28)/b27-24-
InChIKeyIPIBOCBUCCWCJO-PNHLSOANSA-N
XLogP5.70
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.33
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
6-bromo-2-(3-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367489
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
CID 3577385
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367492
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide (CID 35218231) is 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide is COc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2cccc(OC)c2)cc1.
What is the InChIKey of 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The InChIKey is IPIBOCBUCCWCJO-PNHLSOANSA-N. The full InChI is InChI=1S/C24H19BrN2O4/c1-29-19-9-7-17(8-10-19)26-23(28)21-13-15-12-16(25)6-11-22(15)31-24(21)27-18-4-3-5-20(14-18)30-2/h3-14H,1-2H3,(H,26,28)/b27-24-.
What are the key properties of 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide has a molecular weight of 479.33 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 35218231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).