N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide

C22H22Cl2N2O3 — CID 135494050

IUPACN-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)c(CCCCCC)cc2cc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H22Cl2N2O3/c1-2-3-4-5-7-13-10-14-11-15(21(25)29-19(14)12-18(13)27)22(28)26-17-9-6-8-16(23)20(17)24/h6,8-12,25,27H,2-5,7H2,1H3,(H,26,28)/b25-21-
InChIKeyLFBMBGIIYSWYFA-DAFNUICNSA-N
MW433.34 g/mol
LogP6.30
Rot. Bonds7

About N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide

N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide (PubChem CID 135494050) has the molecular formula C22H22Cl2N2O3 and a molecular weight of 433.34 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide
PubChem CID135494050
Molecular FormulaC22H22Cl2N2O3
Molecular Weight433.34 g/mol
Exact Mass432.10
IUPAC NameN-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)c(CCCCCC)cc2cc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C22H22Cl2N2O3/c1-2-3-4-5-7-13-10-14-11-15(21(25)29-19(14)12-18(13)27)22(28)26-17-9-6-8-16(23)20(17)24/h6,8-12,25,27H,2-5,7H2,1H3,(H,26,28)/b25-21-
InChIKeyLFBMBGIIYSWYFA-DAFNUICNSA-N
XLogP6.30
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
2-(6-hexyl-7-hydroxy-2-iminochromen-3-yl)-3H-quinazolin-4-one
CID 135518960
6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
6-hexyl-7-hydroxy-3-(3-phenylprop-2-enoyl)chromen-2-one
CID 71835705
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide
CID 135576365
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
7-hydroxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 135531975
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
6-hexyl-7-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one
CID 135486486
6-hexyl-7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135613754
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide (CID 135494050) is N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(O)c(CCCCCC)cc2cc1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide?
The InChIKey is LFBMBGIIYSWYFA-DAFNUICNSA-N. The full InChI is InChI=1S/C22H22Cl2N2O3/c1-2-3-4-5-7-13-10-14-11-15(21(25)29-19(14)12-18(13)27)22(28)26-17-9-6-8-16(23)20(17)24/h6,8-12,25,27H,2-5,7H2,1H3,(H,26,28)/b25-21-.
What are the key properties of N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide?
N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide has a molecular weight of 433.34 g/mol, XLogP of 6.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide is sourced from PubChem (CID 135494050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).