heptyl 2-(2-chloroanilino)-2-oxoacetate

C15H20ClNO3 — CID 6420862

IUPACheptyl 2-(2-chloroanilino)-2-oxoacetate
SMILESCCCCCCCOC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c1-2-3-4-5-8-11-20-15(19)14(18)17-13-10-7-6-9-12(13)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,18)
InChIKeyOXZZSICGRHNDLH-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.79
Rot. Bonds7

About heptyl 2-(2-chloroanilino)-2-oxoacetate

heptyl 2-(2-chloroanilino)-2-oxoacetate (PubChem CID 6420862) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is heptyl 2-(2-chloroanilino)-2-oxoacetate.

Molecular Properties

Compound Nameheptyl 2-(2-chloroanilino)-2-oxoacetate
PubChem CID6420862
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Nameheptyl 2-(2-chloroanilino)-2-oxoacetate
SMILESCCCCCCCOC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c1-2-3-4-5-8-11-20-15(19)14(18)17-13-10-7-6-9-12(13)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,18)
InChIKeyOXZZSICGRHNDLH-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl 2-(2-ethylanilino)-2-oxoacetate
CID 6423339
octadecyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6422180
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
butyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6423021
hexyl 3-[(2-chlorophenyl)carbamoyl]benzoate
CID 91737156
heptyl 2-(3-chloroanilino)-2-oxoacetate
CID 6420863
N-(2-chlorophenyl)octanamide
CID 2292983
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032
N-(2-chlorophenyl)hexanamide
CID 4644560
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
CID 2250939
octadec-9-enyl 2-(4-chloroanilino)-2-oxoacetate
CID 71411690

Frequently Asked Questions

What is the IUPAC name of heptyl 2-(2-chloroanilino)-2-oxoacetate?
The IUPAC name of heptyl 2-(2-chloroanilino)-2-oxoacetate (CID 6420862) is heptyl 2-(2-chloroanilino)-2-oxoacetate.
What is the SMILES notation for heptyl 2-(2-chloroanilino)-2-oxoacetate?
The canonical SMILES for heptyl 2-(2-chloroanilino)-2-oxoacetate is CCCCCCCOC(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of heptyl 2-(2-chloroanilino)-2-oxoacetate?
The InChIKey is OXZZSICGRHNDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-2-3-4-5-8-11-20-15(19)14(18)17-13-10-7-6-9-12(13)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,18).
What are the key properties of heptyl 2-(2-chloroanilino)-2-oxoacetate?
heptyl 2-(2-chloroanilino)-2-oxoacetate has a molecular weight of 297.78 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-(2-chloroanilino)-2-oxoacetate is sourced from PubChem (CID 6420862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).