1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one

C20H16ClF3N2O — CID 88911436

IUPAC1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(CNCl)c(C(F)(F)F)cc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C20H16ClF3N2O/c21-25-12-16-17(20(22,23)24)11-18(15-9-5-2-6-10-15)26(19(16)27)13-14-7-3-1-4-8-14/h1-11,25H,12-13H2
InChIKeyQEOFRNXTPSPFAA-UHFFFAOYSA-N
MW392.81 g/mol
LogP4.83
Rot. Bonds5

About 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one

1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 88911436) has the molecular formula C20H16ClF3N2O and a molecular weight of 392.81 g/mol. Its IUPAC name is 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID88911436
Molecular FormulaC20H16ClF3N2O
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(CNCl)c(C(F)(F)F)cc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C20H16ClF3N2O/c21-25-12-16-17(20(22,23)24)11-18(15-9-5-2-6-10-15)26(19(16)27)13-14-7-3-1-4-8-14/h1-11,25H,12-13H2
InChIKeyQEOFRNXTPSPFAA-UHFFFAOYSA-N
XLogP4.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one (CID 88911436) is 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one is O=c1c(CNCl)c(C(F)(F)F)cc(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is QEOFRNXTPSPFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O/c21-25-12-16-17(20(22,23)24)11-18(15-9-5-2-6-10-15)26(19(16)27)13-14-7-3-1-4-8-14/h1-11,25H,12-13H2.
What are the key properties of 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 392.81 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 88911436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).