2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone

C20H16Cl2N2O — CID 4625405

IUPAC2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O/c21-17-10-9-16(12-18(17)22)19(25)14-24(20-8-4-5-11-23-20)13-15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKeyKDUGKECHZWQPKJ-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.28
Rot. Bonds6

About 2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone

2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone (PubChem CID 4625405) 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-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone
PubChem CID4625405
Molecular FormulaC20H16Cl2N2O
Molecular Weight371.27 g/mol
Exact Mass370.06
IUPAC Name2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O/c21-17-10-9-16(12-18(17)22)19(25)14-24(20-8-4-5-11-23-20)13-15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKeyKDUGKECHZWQPKJ-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-(2,4-dichlorophenyl)ethanone
CID 118985422
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
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110828198
1-(3-nitrophenyl)-2-[pyridin-2-yl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanone
CID 110830245
3,5-dichloro-4-(dibenzylamino)benzoic acid
CID 59152637
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
N-benzyl-N-tert-butyl-3,4-dichlorobenzamide
CID 888438
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone (CID 4625405) is 2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone is O=C(CN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is KDUGKECHZWQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O/c21-17-10-9-16(12-18(17)22)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-(3,4-dichlorophenyl)ethanone?
2-[benzyl(pyridin-2-yl)amino]-1-(3,4-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-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 4625405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).