2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone

C20H16Cl2N2O — CID 118985422

IUPAC2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(CN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2O/c21-16-9-10-17(18(22)12-16)19(25)14-24(20-8-4-5-11-23-20)13-15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKeyGWXKHNMXTHUPNH-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.28
Rot. Bonds6

About 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone

2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone (PubChem CID 118985422) has the molecular formula C20H16Cl2N2O and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone
PubChem CID118985422
Molecular FormulaC20H16Cl2N2O
Molecular Weight371.27 g/mol
Exact Mass370.06
IUPAC Name2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(CN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2O/c21-16-9-10-17(18(22)12-16)19(25)14-24(20-8-4-5-11-23-20)13-15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKeyGWXKHNMXTHUPNH-UHFFFAOYSA-N
XLogP5.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 4625405
2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830511
2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-nitrophenyl)ethanone
CID 110830112
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
benzyl (Z)-3-(2,4-dichlorophenyl)-3-hydroxy-2-pyridin-2-ylprop-2-enoate
CID 135489190
1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650610
(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
CID 154508101
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone (CID 118985422) is 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone is O=C(CN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is GWXKHNMXTHUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O/c21-16-9-10-17(18(22)12-16)19(25)14-24(20-8-4-5-11-23-20)13-15-6-2-1-3-7-15/h1-12H,13-14H2.
What are the key properties of 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone?
2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 371.27 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 118985422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).