3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide

C17H17ClN2O2 — CID 5456482

IUPAC3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)22-16-8-6-13(7-9-16)11-19-20-17(21)14-4-3-5-15(18)10-14/h3-12H,1-2H3,(H,20,21)/b19-11-
InChIKeyWTWJEWRNXIOLPC-ODLFYWEKSA-N
MW316.79 g/mol
LogP3.89
Rot. Bonds5

About 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide

3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 5456482) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID5456482
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)22-16-8-6-13(7-9-16)11-19-20-17(21)14-4-3-5-15(18)10-14/h3-12H,1-2H3,(H,20,21)/b19-11-
InChIKeyWTWJEWRNXIOLPC-ODLFYWEKSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110536999
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 94847752
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3702836
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylideneamino]-3-chlorobenzamide
CID 5004235
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 5456482) is 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide is CC(C)Oc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is WTWJEWRNXIOLPC-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(2)22-16-8-6-13(7-9-16)11-19-20-17(21)14-4-3-5-15(18)10-14/h3-12H,1-2H3,(H,20,21)/b19-11-.
What are the key properties of 3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.89, 5 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-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5456482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).