2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone

C20H16ClFN2O — CID 110825436

IUPAC2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(Cc1cccc(Cl)c1)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-5-3-4-15(12-17)13-24(20-6-1-2-11-23-20)14-19(25)16-7-9-18(22)10-8-16/h1-12H,13-14H2
InChIKeySIJAZOFSOLNFID-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.76
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone

2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone (PubChem CID 110825436) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone
PubChem CID110825436
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(Cc1cccc(Cl)c1)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-5-3-4-15(12-17)13-24(20-6-1-2-11-23-20)14-19(25)16-7-9-18(22)10-8-16/h1-12H,13-14H2
InChIKeySIJAZOFSOLNFID-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 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone (CID 110825436) is 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone is O=C(CN(Cc1cccc(Cl)c1)c1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone?
The InChIKey is SIJAZOFSOLNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-17-5-3-4-15(12-17)13-24(20-6-1-2-11-23-20)14-19(25)16-7-9-18(22)10-8-16/h1-12H,13-14H2.
What are the key properties of 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone?
2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)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 2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110825436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).