3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one

C21H16Cl3NO — CID 132592115

IUPAC3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
SMILESO=C(CC(Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C21H16Cl3NO/c22-16-7-4-8-17(12-16)25-20(15-9-10-18(23)19(24)11-15)13-21(26)14-5-2-1-3-6-14/h1-12,20,25H,13H2
InChIKeyIRGDGRZHCUNXRA-UHFFFAOYSA-N
MW404.72 g/mol
LogP7.07
Rot. Bonds6

About 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one

3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one (PubChem CID 132592115) has the molecular formula C21H16Cl3NO and a molecular weight of 404.72 g/mol. Its IUPAC name is 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
PubChem CID132592115
Molecular FormulaC21H16Cl3NO
Molecular Weight404.72 g/mol
Exact Mass403.03
IUPAC Name3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
SMILESO=C(CC(Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C21H16Cl3NO/c22-16-7-4-8-17(12-16)25-20(15-9-10-18(23)19(24)11-15)13-21(26)14-5-2-1-3-6-14/h1-12,20,25H,13H2
InChIKeyIRGDGRZHCUNXRA-UHFFFAOYSA-N
XLogP7.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.72
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloroanilino)-3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 132592112
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592096
(3R)-3-(4-chlorophenyl)-3-(3-nitroanilino)-1-phenylpropan-1-one
CID 2222825
4-(3-chloroanilino)-4-phenylbutan-2-one
CID 102258226
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454
3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-(3-nitroanilino)propan-1-one
CID 132592354
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one
CID 132592634
2-(3-chloroanilino)-2-(3,4-dichlorophenyl)acetamide
CID 61005060
3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 132592599

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one (CID 132592115) is 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one is O=C(CC(Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one?
The InChIKey is IRGDGRZHCUNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3NO/c22-16-7-4-8-17(12-16)25-20(15-9-10-18(23)19(24)11-15)13-21(26)14-5-2-1-3-6-14/h1-12,20,25H,13H2.
What are the key properties of 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one?
3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one has a molecular weight of 404.72 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 132592115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).