N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide

C19H17ClN2O3 — CID 133179455

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)OCC1(CC1)CO2
InChIInChI=1S/C19H17ClN2O3/c20-15-4-2-1-3-14(15)10-21-22-18(23)13-5-6-16-17(9-13)25-12-19(7-8-19)11-24-16/h1-6,9-10H,7-8,11-12H2,(H,22,23)/b21-10-
InChIKeyWPBGKEVQCAZEIG-FBHDLOMBSA-N
MW356.81 g/mol
LogP3.66
Rot. Bonds3

About N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide

N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide (PubChem CID 133179455) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
PubChem CID133179455
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)OCC1(CC1)CO2
InChIInChI=1S/C19H17ClN2O3/c20-15-4-2-1-3-14(15)10-21-22-18(23)13-5-6-16-17(9-13)25-12-19(7-8-19)11-24-16/h1-6,9-10H,7-8,11-12H2,(H,22,23)/b21-10-
InChIKeyWPBGKEVQCAZEIG-FBHDLOMBSA-N
XLogP3.66
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide with MolForge

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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100606007
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(E)-(3-chloro-2-methoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 59187392
N-(3,4-dichlorophenyl)spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100604856
N-(4-chlorophenyl)spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100604710
N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5056514
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907887
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907884
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide (CID 133179455) is N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide is O=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)OCC1(CC1)CO2.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide?
The InChIKey is WPBGKEVQCAZEIG-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-15-4-2-1-3-14(15)10-21-22-18(23)13-5-6-16-17(9-13)25-12-19(7-8-19)11-24-16/h1-6,9-10H,7-8,11-12H2,(H,22,23)/b21-10-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide is sourced from PubChem (CID 133179455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).