2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone

C16H15Cl2NO3 — CID 110823882

IUPAC2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(NCC(=O)c2ccc(OC)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H15Cl2NO3/c1-21-15-5-3-10(7-12(15)17)14(20)9-19-11-4-6-16(22-2)13(18)8-11/h3-8,19H,9H2,1-2H3
InChIKeyDSEWOOFOJSEOEZ-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.31
Rot. Bonds6

About 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone

2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone (PubChem CID 110823882) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
PubChem CID110823882
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(NCC(=O)c2ccc(OC)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H15Cl2NO3/c1-21-15-5-3-10(7-12(15)17)14(20)9-19-11-4-6-16(22-2)13(18)8-11/h3-8,19H,9H2,1-2H3
InChIKeyDSEWOOFOJSEOEZ-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methoxyanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110823924
1-(3-chloro-4-methoxyphenyl)-2-(4-nitroanilino)ethanone
CID 110823868
2-(3-chloro-4-methoxyanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824050
2-[4-(1,3-benzothiazol-2-yl)anilino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110827659
3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline
CID 60680786
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94271574
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
1-(3-chloro-4-methoxyphenyl)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethanone
CID 110827578
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
4-(3-chloro-4-methoxyphenyl)-2,4-dioxobutanoic acid
CID 10422570
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone (CID 110823882) is 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone is COc1ccc(NCC(=O)c2ccc(OC)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone?
The InChIKey is DSEWOOFOJSEOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-21-15-5-3-10(7-12(15)17)14(20)9-19-11-4-6-16(22-2)13(18)8-11/h3-8,19H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone?
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone has a molecular weight of 340.21 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 110823882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).