cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide

C19H22Cl2N2O2 — CID 166297769

IUPACcis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC(C(N)=O)C1CC1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2)13(9-14(21)10-5-7-12(20)8-6-10)15(19)18(25)23-16(17(22)24)11-3-4-11/h5-9,11,13,15-16H,3-4H2,1-2H3,(H2,22,24)(H,23,25)/b14-9-/t13-,15+,16?/m0/s1
InChIKeyPFIIJSMGYQAQIH-YZPABNSRSA-N
MW381.30 g/mol
LogP3.57
Rot. Bonds6

About cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide

cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 166297769) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID166297769
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Namecis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC(C(N)=O)C1CC1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2)13(9-14(21)10-5-7-12(20)8-6-10)15(19)18(25)23-16(17(22)24)11-3-4-11/h5-9,11,13,15-16H,3-4H2,1-2H3,(H2,22,24)(H,23,25)/b14-9-/t13-,15+,16?/m0/s1
InChIKeyPFIIJSMGYQAQIH-YZPABNSRSA-N
XLogP3.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 166297769) is cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)NC(C(N)=O)C1CC1.
What is the InChIKey of cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is PFIIJSMGYQAQIH-YZPABNSRSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-19(2)13(9-14(21)10-5-7-12(20)8-6-10)15(19)18(25)23-16(17(22)24)11-3-4-11/h5-9,11,13,15-16H,3-4H2,1-2H3,(H2,22,24)(H,23,25)/b14-9-/t13-,15+,16?/m0/s1.
What are the key properties of cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide?
cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-(2-amino-1-cyclopropyl-2-oxoethyl)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 166297769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).