3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

C17H15ClN2O2 — CID 94847752

IUPAC3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-10-22-16-8-6-13(7-9-16)12-19-20-17(21)14-4-3-5-15(18)11-14/h2-9,11-12H,1,10H2,(H,20,21)/b19-12-
InChIKeyMOHVQGBZXGKDLD-UNOMPAQXSA-N
MW314.77 g/mol
LogP3.67
Rot. Bonds6

About 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 94847752) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID94847752
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-10-22-16-8-6-13(7-9-16)12-19-20-17(21)14-4-3-5-15(18)11-14/h2-9,11-12H,1,10H2,(H,20,21)/b19-12-
InChIKeyMOHVQGBZXGKDLD-UNOMPAQXSA-N
XLogP3.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylideneamino]-3-chlorobenzamide
CID 5004235
3-chloro-4-methyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126062015
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 136718827

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 94847752) is 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is MOHVQGBZXGKDLD-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-10-22-16-8-6-13(7-9-16)12-19-20-17(21)14-4-3-5-15(18)11-14/h2-9,11-12H,1,10H2,(H,20,21)/b19-12-.
What are the key properties of 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 314.77 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 94847752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).