[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate

C16H21ClN2O3 — CID 2371624

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESCN(C(=O)COC(=O)c1ccc(Cl)cc1N)C1CCCCC1
InChIInChI=1S/C16H21ClN2O3/c1-19(12-5-3-2-4-6-12)15(20)10-22-16(21)13-8-7-11(17)9-14(13)18/h7-9,12H,2-6,10,18H2,1H3
InChIKeyHVCWELMNCGYHCW-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.87
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate (PubChem CID 2371624) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
PubChem CID2371624
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESCN(C(=O)COC(=O)c1ccc(Cl)cc1N)C1CCCCC1
InChIInChI=1S/C16H21ClN2O3/c1-19(12-5-3-2-4-6-12)15(20)10-22-16(21)13-8-7-11(17)9-14(13)18/h7-9,12H,2-6,10,18H2,1H3
InChIKeyHVCWELMNCGYHCW-UHFFFAOYSA-N
XLogP2.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.87
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-Morpholin-4-yl-2-oxoethyl) 4-chloro-2-nitrobenzoate
CID 2096562
(2-Morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
CID 2097201
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2390725
[2-(Benzylcarbamoylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2410001
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 3347965
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 3-amino-4-chlorobenzoate
CID 3467731
[2-[Benzyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4141016
[2-(3-Chloro-2-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888034
Propyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
CID 25022700
Ethyl 4-chloro-2-[(2,6-difluorobenzoyl)amino]benzoate
CID 44203131
Ethyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
CID 44443685

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate (CID 2371624) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate is CN(C(=O)COC(=O)c1ccc(Cl)cc1N)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate?
The InChIKey is HVCWELMNCGYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-19(12-5-3-2-4-6-12)15(20)10-22-16(21)13-8-7-11(17)9-14(13)18/h7-9,12H,2-6,10,18H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate has a molecular weight of 324.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate is sourced from PubChem (CID 2371624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).