ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate

C12H14ClNO2 — CID 103439478

IUPACethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2Cl)CC1
InChIInChI=1S/C12H14ClNO2/c1-2-16-11(15)12(7-8-12)14-10-6-4-3-5-9(10)13/h3-6,14H,2,7-8H2,1H3
InChIKeyAPDNMTRTKDFREV-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.85
Rot. Bonds4

About ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate

ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate (PubChem CID 103439478) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate
PubChem CID103439478
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Nameethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2Cl)CC1
InChIInChI=1S/C12H14ClNO2/c1-2-16-11(15)12(7-8-12)14-10-6-4-3-5-9(10)13/h3-6,14H,2,7-8H2,1H3
InChIKeyAPDNMTRTKDFREV-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-chloroanilino)cyclobutane-1-carboxylate
CID 55067667
ethyl 1-(2-chloroanilino)-3-methoxycyclohexane-1-carboxylate
CID 106872998
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465
ethyl 1-(2-chloroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106872999
ethyl 1-(2-chloroanilino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64754954
ethyl 1-(2-chloroanilino)-2,4,4-trimethylcyclopentane-1-carboxylate
CID 106663329
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
ethyl 3-(2-methylanilino)oxolane-3-carboxylate
CID 63333123
ethyl 4-(2-bromoanilino)oxepane-4-carboxylate
CID 65079402
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478
1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate (CID 103439478) is ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate is CCOC(=O)C1(Nc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate?
The InChIKey is APDNMTRTKDFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-2-16-11(15)12(7-8-12)14-10-6-4-3-5-9(10)13/h3-6,14H,2,7-8H2,1H3.
What are the key properties of ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate?
ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate is sourced from PubChem (CID 103439478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).