6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide

C17H13BrN2O3 — CID 17373619

IUPAC6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H13BrN2O3/c1-22-13-4-2-3-12(9-13)20-17(21)14-8-10-7-11(18)5-6-15(10)23-16(14)19/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyXIGUJWKDRQPPFR-MNDPQUGUSA-N
MW373.21 g/mol
LogP3.94
Rot. Bonds3

About 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide

6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide (PubChem CID 17373619) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
PubChem CID17373619
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H13BrN2O3/c1-22-13-4-2-3-12(9-13)20-17(21)14-8-10-7-11(18)5-6-15(10)23-16(14)19/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyXIGUJWKDRQPPFR-MNDPQUGUSA-N
XLogP3.94
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
CID 17374434
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
6,8-dibromo-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 1111870
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
methyl 5-benzyl-2-[(6-bromo-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19573832
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide (CID 17373619) is 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide is [H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is XIGUJWKDRQPPFR-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-22-13-4-2-3-12(9-13)20-17(21)14-8-10-7-11(18)5-6-15(10)23-16(14)19/h2-9,19H,1H3,(H,20,21)/b19-16-.
What are the key properties of 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide?
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 17373619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).