N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C21H16ClF3N2O2 — CID 155464502

IUPACN-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF3N2O2/c1-12-11-16(21(23,24)25)26-19(28)17(12)20(29)27-18(13-5-3-2-4-6-13)14-7-9-15(22)10-8-14/h2-11,18H,1H3,(H,26,28)(H,27,29)
InChIKeyDPADWYUHPBYGEZ-UHFFFAOYSA-N
MW420.82 g/mol
LogP4.87
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464502) has the molecular formula C21H16ClF3N2O2 and a molecular weight of 420.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464502
Molecular FormulaC21H16ClF3N2O2
Molecular Weight420.82 g/mol
Exact Mass420.09
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF3N2O2/c1-12-11-16(21(23,24)25)26-19(28)17(12)20(29)27-18(13-5-3-2-4-6-13)14-7-9-15(22)10-8-14/h2-11,18H,1H3,(H,26,28)(H,27,29)
InChIKeyDPADWYUHPBYGEZ-UHFFFAOYSA-N
XLogP4.87
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464502) is N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DPADWYUHPBYGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O2/c1-12-11-16(21(23,24)25)26-19(28)17(12)20(29)27-18(13-5-3-2-4-6-13)14-7-9-15(22)10-8-14/h2-11,18H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 420.82 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).