(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C15H16Cl2N2O — CID 129439417

IUPAC(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C15H16Cl2N2O/c16-10-6-5-9(13(17)7-10)8-18-19-15(20)14-11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2,(H,19,20)/t11-,12-/m1/s1
InChIKeyLZEFTSFXJKGUHN-VXGBXAGGSA-N
MW311.21 g/mol
LogP3.88
Rot. Bonds3

About (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 129439417) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID129439417
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C15H16Cl2N2O/c16-10-6-5-9(13(17)7-10)8-18-19-15(20)14-11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2,(H,19,20)/t11-,12-/m1/s1
InChIKeyLZEFTSFXJKGUHN-VXGBXAGGSA-N
XLogP3.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,6R)-N-[(E)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98048536
N-[(2,6-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5038735
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925017
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135403161
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
(1R,6S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5406214

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 129439417) is (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is O=C(NN=Cc1ccc(Cl)cc1Cl)C1[C@@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is LZEFTSFXJKGUHN-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-10-6-5-9(13(17)7-10)8-18-19-15(20)14-11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2,(H,19,20)/t11-,12-/m1/s1.
What are the key properties of (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 311.21 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 129439417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).