2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide

C22H15ClFN3O3 — CID 51367154

IUPAC2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3Cl)oc12
InChIInChI=1S/C22H15ClFN3O3/c1-29-18-6-4-5-13-11-15(21(28)27-19-7-2-3-10-25-19)22(30-20(13)18)26-17-9-8-14(24)12-16(17)23/h2-12H,1H3,(H,25,27,28)/b26-22-
InChIKeyLMGFKKZEUDUMOT-ROMGYVFFSA-N
MW423.83 g/mol
LogP5.11
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide

2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 51367154) has the molecular formula C22H15ClFN3O3 and a molecular weight of 423.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID51367154
Molecular FormulaC22H15ClFN3O3
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC Name2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3Cl)oc12
InChIInChI=1S/C22H15ClFN3O3/c1-29-18-6-4-5-13-11-15(21(28)27-19-7-2-3-10-25-19)22(30-20(13)18)26-17-9-8-14(24)12-16(17)23/h2-12H,1H3,(H,25,27,28)/b26-22-
InChIKeyLMGFKKZEUDUMOT-ROMGYVFFSA-N
XLogP5.11
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367169
2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367152
2-(2-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367145
8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367160
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
2-(2,5-difluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367635
2-(2,5-difluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367726
2-(2,4-dimethoxyphenyl)imino-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367582
2-(2-fluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367722
8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367608
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
2-(3-fluoro-2-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367754

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide (CID 51367154) is 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3Cl)oc12.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is LMGFKKZEUDUMOT-ROMGYVFFSA-N. The full InChI is InChI=1S/C22H15ClFN3O3/c1-29-18-6-4-5-13-11-15(21(28)27-19-7-2-3-10-25-19)22(30-20(13)18)26-17-9-8-14(24)12-16(17)23/h2-12H,1H3,(H,25,27,28)/b26-22-.
What are the key properties of 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 423.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 51367154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).