[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate

C16H19Cl2NO3 — CID 4803859

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H19Cl2NO3/c17-11-7-8-14(18)13(9-11)16(21)22-10-15(20)19-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,19,20)
InChIKeyZFUSGZJRXKJJCZ-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.99
Rot. Bonds4

About [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate

[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate (PubChem CID 4803859) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
PubChem CID4803859
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H19Cl2NO3/c17-11-7-8-14(18)13(9-11)16(21)22-10-15(20)19-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,19,20)
InChIKeyZFUSGZJRXKJJCZ-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopentylamino)-2-oxoethyl] 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 2366758
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620254
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate (CID 4803859) is [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1Cl)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate?
The InChIKey is ZFUSGZJRXKJJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c17-11-7-8-14(18)13(9-11)16(21)22-10-15(20)19-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,19,20).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate?
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate has a molecular weight of 344.24 g/mol, XLogP of 3.99, 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] 2,5-dichlorobenzoate is sourced from PubChem (CID 4803859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).