[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate

C16H20ClNO3 — CID 4804286

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H20ClNO3/c17-14-10-6-5-9-13(14)16(20)21-11-15(19)18-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,18,19)
InChIKeyPLEALCDSLCFDSS-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.34
Rot. Bonds4

About [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate

[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate (PubChem CID 4804286) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
PubChem CID4804286
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H20ClNO3/c17-14-10-6-5-9-13(14)16(20)21-11-15(19)18-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,18,19)
InChIKeyPLEALCDSLCFDSS-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 5062886
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2096945
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806939
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate (CID 4804286) is [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate is O=C(COC(=O)c1ccccc1Cl)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is PLEALCDSLCFDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-10-6-5-9-13(14)16(20)21-11-15(19)18-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,18,19).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate?
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 309.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 4804286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).