N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide

C21H12ClF3N2O3 — CID 2764664

IUPACN-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C21H12ClF3N2O3/c22-12-7-5-11(6-8-12)10-26-19(29)15-9-14-17(28)13-3-1-2-4-16(13)30-20(14)27-18(15)21(23,24)25/h1-9H,10H2,(H,26,29)
InChIKeyPAENQDFBWSZUCR-UHFFFAOYSA-N
MW432.79 g/mol
LogP4.94
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 2764664) has the molecular formula C21H12ClF3N2O3 and a molecular weight of 432.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
PubChem CID2764664
Molecular FormulaC21H12ClF3N2O3
Molecular Weight432.79 g/mol
Exact Mass432.05
IUPAC NameN-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C21H12ClF3N2O3/c22-12-7-5-11(6-8-12)10-26-19(29)15-9-14-17(28)13-3-1-2-4-16(13)30-20(14)27-18(15)21(23,24)25/h1-9H,10H2,(H,26,29)
InChIKeyPAENQDFBWSZUCR-UHFFFAOYSA-N
XLogP4.94
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.79
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 4914849
N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide
CID 58035616
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[(4-chlorophenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 11487933
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide
CID 166399067
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
5-bromo-N-[(4-bromophenyl)methyl]-2-oxochromene-3-carboxamide
CID 171358633
2-(2,4-dichloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10321947
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 11627682

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide (CID 2764664) is N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is PAENQDFBWSZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF3N2O3/c22-12-7-5-11(6-8-12)10-26-19(29)15-9-14-17(28)13-3-1-2-4-16(13)30-20(14)27-18(15)21(23,24)25/h1-9H,10H2,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 432.79 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 2764664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).