[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate

C18H17Cl2NO3 — CID 2356788

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11(2)12-3-5-13(6-4-12)18(23)24-10-17(22)21-14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyFCKOFIGCHLNVKU-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.91
Rot. Bonds5

About [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate

[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate (PubChem CID 2356788) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
PubChem CID2356788
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11(2)12-3-5-13(6-4-12)18(23)24-10-17(22)21-14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyFCKOFIGCHLNVKU-UHFFFAOYSA-N
XLogP4.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 46860570
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969091
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969377
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269931
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7694345
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702259
5-[[2-(4-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoic acid
CID 23887618
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781191
[2-(4-tert-butylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2535262

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate (CID 2356788) is [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate is CC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The InChIKey is FCKOFIGCHLNVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11(2)12-3-5-13(6-4-12)18(23)24-10-17(22)21-14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate has a molecular weight of 366.24 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate is sourced from PubChem (CID 2356788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).