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

C17H13ClN2O3 — CID 19573962

IUPAC6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H13ClN2O3/c1-22-15-5-3-2-4-13(15)20-17(21)12-9-10-8-11(18)6-7-14(10)23-16(12)19/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyQXXBZXMZHCFACY-MNDPQUGUSA-N
MW328.75 g/mol
LogP3.83
Rot. Bonds3

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

6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide (PubChem CID 19573962) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.75 g/mol. Its IUPAC name is 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
PubChem CID19573962
Molecular FormulaC17H13ClN2O3
Molecular Weight328.75 g/mol
Exact Mass328.06
IUPAC Name6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H13ClN2O3/c1-22-15-5-3-2-4-13(15)20-17(21)12-9-10-8-11(18)6-7-14(10)23-16(12)19/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyQXXBZXMZHCFACY-MNDPQUGUSA-N
XLogP3.83
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
CID 17374434
7-hydroxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 135531975
6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
CID 17374392
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 19289000
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide (CID 19573962) is 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1OC.
What is the InChIKey of 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is QXXBZXMZHCFACY-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-15-5-3-2-4-13(15)20-17(21)12-9-10-8-11(18)6-7-14(10)23-16(12)19/h2-9,19H,1H3,(H,20,21)/b19-16-.
What are the key properties of 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide?
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 328.75 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 19573962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).