6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide

C16H9Cl3N2O2 — CID 17373603

IUPAC6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H9Cl3N2O2/c17-9-1-2-14-8(3-9)4-13(15(20)23-14)16(22)21-12-6-10(18)5-11(19)7-12/h1-7,20H,(H,21,22)/b20-15-
InChIKeyITWZCARWSXJLBQ-HKWRFOASSA-N
MW367.62 g/mol
LogP5.12
Rot. Bonds2

About 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide

6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide (PubChem CID 17373603) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
PubChem CID17373603
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC Name6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H9Cl3N2O2/c17-9-1-2-14-8(3-9)4-13(15(20)23-14)16(22)21-12-6-10(18)5-11(19)7-12/h1-7,20H,(H,21,22)/b20-15-
InChIKeyITWZCARWSXJLBQ-HKWRFOASSA-N
XLogP5.12
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 19289000
6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
CID 17374392
6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
CID 17374434
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 17281895
6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide
CID 19289184

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide (CID 17373603) is 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide?
The InChIKey is ITWZCARWSXJLBQ-HKWRFOASSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-9-1-2-14-8(3-9)4-13(15(20)23-14)16(22)21-12-6-10(18)5-11(19)7-12/h1-7,20H,(H,21,22)/b20-15-.
What are the key properties of 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide?
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide has a molecular weight of 367.62 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 17373603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).