ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate

C15H20ClNO2 — CID 64516653

IUPACethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(Cl)c2)CCC(C)C1
InChIInChI=1S/C15H20ClNO2/c1-3-19-14(18)15(8-7-11(2)10-15)17-13-6-4-5-12(16)9-13/h4-6,9,11,17H,3,7-8,10H2,1-2H3
InChIKeyCJZMISYKIFBXTE-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.87
Rot. Bonds4

About ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate

ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate (PubChem CID 64516653) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate
PubChem CID64516653
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(Cl)c2)CCC(C)C1
InChIInChI=1S/C15H20ClNO2/c1-3-19-14(18)15(8-7-11(2)10-15)17-13-6-4-5-12(16)9-13/h4-6,9,11,17H,3,7-8,10H2,1-2H3
InChIKeyCJZMISYKIFBXTE-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-fluoroanilino)-3-methylcyclohexane-1-carboxylate
CID 60993314
ethyl 1-(3-bromoanilino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64747242
ethyl 1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylate
CID 65084951
methyl 1-(3-chloroanilino)-4-ethylcyclohexane-1-carboxylate
CID 63524804
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
1-(3-fluoroanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64514036
ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563491
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478
3-(3-chloroanilino)-5-methylthiolane-3-carboxamide
CID 79950716
ethyl 1-(3-fluoroanilino)-2,4-dimethylcyclohexane-1-carboxylate
CID 64755369
methyl 1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65085708

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate (CID 64516653) is ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate is CCOC(=O)C1(Nc2cccc(Cl)c2)CCC(C)C1.
What is the InChIKey of ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate?
The InChIKey is CJZMISYKIFBXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-19-14(18)15(8-7-11(2)10-15)17-13-6-4-5-12(16)9-13/h4-6,9,11,17H,3,7-8,10H2,1-2H3.
What are the key properties of ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate?
ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 64516653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).