ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate

C15H20ClNO3 — CID 19599425

IUPACethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C15H20ClNO3/c1-2-20-15(19)11-12-7-3-4-8-13(12)17-14(18)9-5-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyOEKWLWGLAKDLIY-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.14
Rot. Bonds8

About ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate

ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate (PubChem CID 19599425) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate
PubChem CID19599425
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C15H20ClNO3/c1-2-20-15(19)11-12-7-3-4-8-13(12)17-14(18)9-5-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyOEKWLWGLAKDLIY-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
2-(7-chloroheptanoylamino)benzamide
CID 139930503
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate (CID 19599425) is ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate is CCOC(=O)Cc1ccccc1NC(=O)CCCCCl.
What is the InChIKey of ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate?
The InChIKey is OEKWLWGLAKDLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-2-20-15(19)11-12-7-3-4-8-13(12)17-14(18)9-5-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate?
ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate has a molecular weight of 297.78 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate is sourced from PubChem (CID 19599425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).