cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate

C14H15Cl2NO4 — CID 178146428

IUPACcis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H15Cl2NO4/c1-2-21-14(20)9-3-7(9)6-17-13(19)10-4-8(15)5-11(16)12(10)18/h4-5,7,9,18H,2-3,6H2,1H3,(H,17,19)/t7-,9+/m0/s1
InChIKeyFQSOILXXRWXOHL-IONNQARKSA-N
MW332.18 g/mol
LogP2.63
Rot. Bonds5

About cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate

cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 178146428) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID178146428
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Namecis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H15Cl2NO4/c1-2-21-14(20)9-3-7(9)6-17-13(19)10-4-8(15)5-11(16)12(10)18/h4-5,7,9,18H,2-3,6H2,1H3,(H,17,19)/t7-,9+/m0/s1
InChIKeyFQSOILXXRWXOHL-IONNQARKSA-N
XLogP2.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate (CID 178146428) is cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is FQSOILXXRWXOHL-IONNQARKSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c1-2-21-14(20)9-3-7(9)6-17-13(19)10-4-8(15)5-11(16)12(10)18/h4-5,7,9,18H,2-3,6H2,1H3,(H,17,19)/t7-,9+/m0/s1.
What are the key properties of cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 332.18 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 178146428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).