[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C16H18ClNO4 — CID 18193445

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(Cl)ccc1O)C1=CCCC1
InChIInChI=1S/C16H18ClNO4/c1-2-18(12-5-3-4-6-12)15(20)10-22-16(21)13-9-11(17)7-8-14(13)19/h5,7-9,19H,2-4,6,10H2,1H3
InChIKeyGCIGOGOVOGGARX-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.12
Rot. Bonds5

About [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 18193445) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID18193445
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(Cl)ccc1O)C1=CCCC1
InChIInChI=1S/C16H18ClNO4/c1-2-18(12-5-3-4-6-12)15(20)10-22-16(21)13-9-11(17)7-8-14(13)19/h5,7-9,19H,2-4,6,10H2,1H3
InChIKeyGCIGOGOVOGGARX-UHFFFAOYSA-N
XLogP3.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 18193438
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 8512677
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286288
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8521907
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 18193791
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18169986
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7887046
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 18195679
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18080617
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18194149
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487
propyl 5-chloro-2-hydroxybenzoate
CID 43389601

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 18193445) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is CCN(C(=O)COC(=O)c1cc(Cl)ccc1O)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is GCIGOGOVOGGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-2-18(12-5-3-4-6-12)15(20)10-22-16(21)13-9-11(17)7-8-14(13)19/h5,7-9,19H,2-4,6,10H2,1H3.
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 323.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 18193445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).