4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide

C17H17ClN2O2 — CID 9060327

IUPAC4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide
SMILESCOc1ccccc1C/C(C)=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(11-14-5-3-4-6-16(14)22-2)19-20-17(21)13-7-9-15(18)10-8-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyPPBPKIMHSUZREB-UNOMPAQXSA-N
MW316.79 g/mol
LogP3.70
Rot. Bonds5

About 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide

4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide (PubChem CID 9060327) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide
PubChem CID9060327
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide
SMILESCOc1ccccc1C/C(C)=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(11-14-5-3-4-6-16(14)22-2)19-20-17(21)13-7-9-15(18)10-8-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyPPBPKIMHSUZREB-UNOMPAQXSA-N
XLogP3.70
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 ≤ 53.70
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'}

Analyze 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-4-nitrobenzamide
CID 9015021
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245826
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464723
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
4-chloro-N-[(E)-[4-(2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 7225178
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524255
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
(NZ)-N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 5368511
N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 562770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide (CID 9060327) is 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide is COc1ccccc1C/C(C)=N\NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide?
The InChIKey is PPBPKIMHSUZREB-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(11-14-5-3-4-6-16(14)22-2)19-20-17(21)13-7-9-15(18)10-8-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide?
4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide is sourced from PubChem (CID 9060327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).