cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

C15H15Cl3N2O2 — CID 136861789

IUPACcis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C15H15Cl3N2O2/c1-15(2)10(6-12(17)18)13(15)14(22)20-19-7-8-5-9(16)3-4-11(8)21/h3-7,10,13,21H,1-2H3,(H,20,22)/b19-7-/t10-,13+/m0/s1
InChIKeyWMUSZFZATXKGMS-TYBZZVDLSA-N
MW361.66 g/mol
LogP4.09
Rot. Bonds4

About cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 136861789) has the molecular formula C15H15Cl3N2O2 and a molecular weight of 361.66 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID136861789
Molecular FormulaC15H15Cl3N2O2
Molecular Weight361.66 g/mol
Exact Mass360.02
IUPAC Namecis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C15H15Cl3N2O2/c1-15(2)10(6-12(17)18)13(15)14(22)20-19-7-8-5-9(16)3-4-11(8)21/h3-7,10,13,21H,1-2H3,(H,20,22)/b19-7-/t10-,13+/m0/s1
InChIKeyWMUSZFZATXKGMS-TYBZZVDLSA-N
XLogP4.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.66
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
CID 6542599
trans-(1S,3S)-3-(2,2-dichloroethenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
CID 136714341
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 155905758
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 166685113
(3R,4R)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135748338
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 4021409
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2837163
trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 706303

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 136861789) is cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C\c1cc(Cl)ccc1O.
What is the InChIKey of cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WMUSZFZATXKGMS-TYBZZVDLSA-N. The full InChI is InChI=1S/C15H15Cl3N2O2/c1-15(2)10(6-12(17)18)13(15)14(22)20-19-7-8-5-9(16)3-4-11(8)21/h3-7,10,13,21H,1-2H3,(H,20,22)/b19-7-/t10-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 361.66 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 136861789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).