[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate

C19H19Cl2NO3 — CID 2407772

IUPAC[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-3-12(2)13-4-7-15(8-5-13)22-18(23)11-25-19(24)16-10-14(20)6-9-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyMQHHLDZZMBDZRY-LBPRGKRZSA-N
MW380.27 g/mol
LogP5.30
Rot. Bonds6

About [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate (PubChem CID 2407772) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
PubChem CID2407772
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-3-12(2)13-4-7-15(8-5-13)22-18(23)11-25-19(24)16-10-14(20)6-9-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyMQHHLDZZMBDZRY-LBPRGKRZSA-N
XLogP5.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate with MolForge

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865772
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 3616999
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 7785327
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253828
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
[2-(4-ethylanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472473
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate (CID 2407772) is [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate is CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
The InChIKey is MQHHLDZZMBDZRY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-3-12(2)13-4-7-15(8-5-13)22-18(23)11-25-19(24)16-10-14(20)6-9-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,23)/t12-/m0/s1.
What are the key properties of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate?
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate has a molecular weight of 380.27 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 2407772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).