1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone

C19H22Cl2N2O2 — CID 110827671

IUPAC1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone
SMILESCOc1ccc(C(=O)CNCC(c2ccc(Cl)cc2)N(C)C)cc1Cl
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)17(13-4-7-15(20)8-5-13)11-22-12-18(24)14-6-9-19(25-3)16(21)10-14/h4-10,17,22H,11-12H2,1-3H3
InChIKeyLNSJPUHNHXWVGI-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.08
Rot. Bonds8

About 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone

1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone (PubChem CID 110827671) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone
PubChem CID110827671
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone
SMILESCOc1ccc(C(=O)CNCC(c2ccc(Cl)cc2)N(C)C)cc1Cl
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)17(13-4-7-15(20)8-5-13)11-22-12-18(24)14-6-9-19(25-3)16(21)10-14/h4-10,17,22H,11-12H2,1-3H3
InChIKeyLNSJPUHNHXWVGI-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94271574
1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 82258238
1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
CID 110826095
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828493
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methoxyphenyl)butan-1-one
CID 58534870
4-(3-chloro-4-methoxyphenyl)-2,4-dioxobutanoic acid
CID 10422570
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone (CID 110827671) is 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone is COc1ccc(C(=O)CNCC(c2ccc(Cl)cc2)N(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone?
The InChIKey is LNSJPUHNHXWVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-23(2)17(13-4-7-15(20)8-5-13)11-22-12-18(24)14-6-9-19(25-3)16(21)10-14/h4-10,17,22H,11-12H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone?
1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone has a molecular weight of 381.30 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone is sourced from PubChem (CID 110827671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).