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

C20H14ClF3N2O2 — CID 155464440

IUPACN-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1Cl)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H14ClF3N2O2/c21-15-9-5-4-8-13(15)17(12-6-2-1-3-7-12)26-19(28)14-10-11-16(20(22,23)24)25-18(14)27/h1-11,17H,(H,25,27)(H,26,28)
InChIKeyRBZJFMJNAKGPJO-UHFFFAOYSA-N
MW406.79 g/mol
LogP4.57
Rot. Bonds4

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

N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464440) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464440
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC NameN-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1Cl)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H14ClF3N2O2/c21-15-9-5-4-8-13(15)17(12-6-2-1-3-7-12)26-19(28)14-10-11-16(20(22,23)24)25-18(14)27/h1-11,17H,(H,25,27)(H,26,28)
InChIKeyRBZJFMJNAKGPJO-UHFFFAOYSA-N
XLogP4.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464440) is N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1Cl)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RBZJFMJNAKGPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c21-15-9-5-4-8-13(15)17(12-6-2-1-3-7-12)26-19(28)14-10-11-16(20(22,23)24)25-18(14)27/h1-11,17H,(H,25,27)(H,26,28).
What are the key properties of N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 406.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).