[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate

C18H17Cl2NO3 — CID 7796753

IUPAC[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-3-12-4-6-16(7-5-12)21-17(22)11(2)24-18(23)13-8-14(19)10-15(20)9-13/h4-11H,3H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyKVNSIQPLTPCMCB-LLVKDONJSA-N
MW366.24 g/mol
LogP4.74
Rot. Bonds5

About [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate (PubChem CID 7796753) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
PubChem CID7796753
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-3-12-4-6-16(7-5-12)21-17(22)11(2)24-18(23)13-8-14(19)10-15(20)9-13/h4-11H,3H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyKVNSIQPLTPCMCB-LLVKDONJSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775657
[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 3522399
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 7864673
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 7793879
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
[1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 43026934
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
CID 7701223
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7235578
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985418
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-ethylbenzoate
CID 7775654

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate?
The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate (CID 7796753) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate.
What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate?
The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate is CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate?
The InChIKey is KVNSIQPLTPCMCB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-3-12-4-6-16(7-5-12)21-17(22)11(2)24-18(23)13-8-14(19)10-15(20)9-13/h4-11H,3H2,1-2H3,(H,21,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate?
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate has a molecular weight of 366.24 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate is sourced from PubChem (CID 7796753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).