methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate

C11H11BrClNO2 — CID 103439462

IUPACmethyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H11BrClNO2/c1-16-10(15)11(4-5-11)14-7-2-3-9(13)8(12)6-7/h2-3,6,14H,4-5H2,1H3
InChIKeyQEJNQBUGGRUHES-UHFFFAOYSA-N
MW304.57 g/mol
LogP3.22
Rot. Bonds3

About methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate

methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate (PubChem CID 103439462) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate
PubChem CID103439462
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Namemethyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H11BrClNO2/c1-16-10(15)11(4-5-11)14-7-2-3-9(13)8(12)6-7/h2-3,6,14H,4-5H2,1H3
InChIKeyQEJNQBUGGRUHES-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82717988
methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate
CID 90299079
methyl 1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65085708
methyl 1-(4-chloroanilino)-4-methylcyclohexane-1-carboxylate
CID 54890558
[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol
CID 106824031
methyl 1-(3-chloroanilino)-4-ethylcyclohexane-1-carboxylate
CID 63524804
methyl 1-(4-chloroanilino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 63525579
ethyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82718153
methyl 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 60994222
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
CID 62389643
methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate (CID 103439462) is methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate is COC(=O)C1(Nc2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate?
The InChIKey is QEJNQBUGGRUHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c1-16-10(15)11(4-5-11)14-7-2-3-9(13)8(12)6-7/h2-3,6,14H,4-5H2,1H3.
What are the key properties of methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate?
methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate has a molecular weight of 304.57 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate is sourced from PubChem (CID 103439462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).