methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate

C12H11ClF2N2O3 — CID 154752489

IUPACmethyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C12H11ClF2N2O3/c1-20-10(18)12(2-3-12)17-11(19)16-9-7(13)4-6(14)5-8(9)15/h4-5H,2-3H2,1H3,(H2,16,17,19)
InChIKeySVAGDYGHAKGCNA-UHFFFAOYSA-N
MW304.68 g/mol
LogP2.45
Rot. Bonds3

About methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate

methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate (PubChem CID 154752489) has the molecular formula C12H11ClF2N2O3 and a molecular weight of 304.68 g/mol. Its IUPAC name is methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate
PubChem CID154752489
Molecular FormulaC12H11ClF2N2O3
Molecular Weight304.68 g/mol
Exact Mass304.04
IUPAC Namemethyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C12H11ClF2N2O3/c1-20-10(18)12(2-3-12)17-11(19)16-9-7(13)4-6(14)5-8(9)15/h4-5H,2-3H2,1H3,(H2,16,17,19)
InChIKeySVAGDYGHAKGCNA-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.68
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate (CID 154752489) is methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate is COC(=O)C1(NC(=O)Nc2c(F)cc(F)cc2Cl)CC1.
What is the InChIKey of methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate?
The InChIKey is SVAGDYGHAKGCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O3/c1-20-10(18)12(2-3-12)17-11(19)16-9-7(13)4-6(14)5-8(9)15/h4-5H,2-3H2,1H3,(H2,16,17,19).
What are the key properties of methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate?
methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate has a molecular weight of 304.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 154752489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).