1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone

C20H16ClFN2O — CID 110825314

IUPAC1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone
SMILESO=C(CN(Cc1ccc(F)cc1)c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-8-6-16(7-9-17)19(25)14-24(20-3-1-2-12-23-20)13-15-4-10-18(22)11-5-15/h1-12H,13-14H2
InChIKeySFBHLTGCEWDQMD-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.76
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone

1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone (PubChem CID 110825314) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone
PubChem CID110825314
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone
SMILESO=C(CN(Cc1ccc(F)cc1)c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-8-6-16(7-9-17)19(25)14-24(20-3-1-2-12-23-20)13-15-4-10-18(22)11-5-15/h1-12H,13-14H2
InChIKeySFBHLTGCEWDQMD-UHFFFAOYSA-N
XLogP4.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone (CID 110825314) is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone is O=C(CN(Cc1ccc(F)cc1)c1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone?
The InChIKey is SFBHLTGCEWDQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-17-8-6-16(7-9-17)19(25)14-24(20-3-1-2-12-23-20)13-15-4-10-18(22)11-5-15/h1-12H,13-14H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone?
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone has a molecular weight of 354.81 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]ethanone is sourced from PubChem (CID 110825314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).