[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate

C18H19ClN2O3 — CID 7472403

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1cc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)21(14-6-4-3-5-7-14)17(22)11-24-18(23)15-10-13(19)8-9-16(15)20/h3-10,12H,11,20H2,1-2H3
InChIKeyBCFTTXMOIXGWDF-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.52
Rot. Bonds5

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate (PubChem CID 7472403) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
PubChem CID7472403
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1cc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)21(14-6-4-3-5-7-14)17(22)11-24-18(23)15-10-13(19)8-9-16(15)20/h3-10,12H,11,20H2,1-2H3
InChIKeyBCFTTXMOIXGWDF-UHFFFAOYSA-N
XLogP3.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-4-nitrobenzoate
CID 7149018
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate
CID 55314052
2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 91395635
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27142395
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-chloro-3-methylsulfonylbenzoate
CID 41423539
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066604
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35778472
[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate
CID 23734119
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471728
2-O-[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504871

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate (CID 7472403) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate is CC(C)N(C(=O)COC(=O)c1cc(Cl)ccc1N)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate?
The InChIKey is BCFTTXMOIXGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(2)21(14-6-4-3-5-7-14)17(22)11-24-18(23)15-10-13(19)8-9-16(15)20/h3-10,12H,11,20H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate has a molecular weight of 346.81 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate is sourced from PubChem (CID 7472403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).