4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide

C17H17Cl2N3O — CID 91609196

IUPAC4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1NC
InChIInChI=1S/C17H17Cl2N3O/c1-3-15(14-10-13(19)8-9-16(14)20-2)21-22-17(23)11-4-6-12(18)7-5-11/h4-10,20H,3H2,1-2H3,(H,22,23)/b21-15-
InChIKeyMMNDGVXXCYOFHL-QNGOZBTKSA-N
MW350.25 g/mol
LogP4.58
Rot. Bonds5

About 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide

4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide (PubChem CID 91609196) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
PubChem CID91609196
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1NC
InChIInChI=1S/C17H17Cl2N3O/c1-3-15(14-10-13(19)8-9-16(14)20-2)21-22-17(23)11-4-6-12(18)7-5-11/h4-10,20H,3H2,1-2H3,(H,22,23)/b21-15-
InChIKeyMMNDGVXXCYOFHL-QNGOZBTKSA-N
XLogP4.58
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.58
H-Bond Donors ≤ 52
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

4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
4-chloro-2-[(E)-N-(2,4-dichloroanilino)-C-ethylcarbonimidoyl]-N-methylaniline
CID 58987717
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 135691033
N-[1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 3388426
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide (CID 91609196) is 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide is CC/C(=N/NC(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1NC.
What is the InChIKey of 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide?
The InChIKey is MMNDGVXXCYOFHL-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c1-3-15(14-10-13(19)8-9-16(14)20-2)21-22-17(23)11-4-6-12(18)7-5-11/h4-10,20H,3H2,1-2H3,(H,22,23)/b21-15-.
What are the key properties of 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide?
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide has a molecular weight of 350.25 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide is sourced from PubChem (CID 91609196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).