6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide

C17H12BrClN2O3 — CID 17374434

IUPAC6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H12BrClN2O3/c1-23-15-5-3-11(19)8-13(15)21-17(22)12-7-9-6-10(18)2-4-14(9)24-16(12)20/h2-8,20H,1H3,(H,21,22)/b20-16-
InChIKeyOODUPBDTYHCJJZ-SILNSSARSA-N
MW407.65 g/mol
LogP4.59
Rot. Bonds3

About 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide

6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide (PubChem CID 17374434) has the molecular formula C17H12BrClN2O3 and a molecular weight of 407.65 g/mol. Its IUPAC name is 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
PubChem CID17374434
Molecular FormulaC17H12BrClN2O3
Molecular Weight407.65 g/mol
Exact Mass405.97
IUPAC Name6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H12BrClN2O3/c1-23-15-5-3-11(19)8-13(15)21-17(22)12-7-9-6-10(18)2-4-14(9)24-16(12)20/h2-8,20H,1H3,(H,21,22)/b20-16-
InChIKeyOODUPBDTYHCJJZ-SILNSSARSA-N
XLogP4.59
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
6-bromo-N-(5-tert-butyl-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 2102409
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide (CID 17374434) is 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide?
The InChIKey is OODUPBDTYHCJJZ-SILNSSARSA-N. The full InChI is InChI=1S/C17H12BrClN2O3/c1-23-15-5-3-11(19)8-13(15)21-17(22)12-7-9-6-10(18)2-4-14(9)24-16(12)20/h2-8,20H,1H3,(H,21,22)/b20-16-.
What are the key properties of 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide?
6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide has a molecular weight of 407.65 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 17374434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).