4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide

C17H17ClN2O — CID 689927

IUPAC4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1)c1cc(C)ccc1C
InChIInChI=1S/C17H17ClN2O/c1-11-4-5-12(2)16(10-11)13(3)19-20-17(21)14-6-8-15(18)9-7-14/h4-10H,1-3H3,(H,20,21)
InChIKeyMAMCRSLHUDVQHJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.11
Rot. Bonds3

About 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide

4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide (PubChem CID 689927) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
PubChem CID689927
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1)c1cc(C)ccc1C
InChIInChI=1S/C17H17ClN2O/c1-11-4-5-12(2)16(10-11)13(3)19-20-17(21)14-6-8-15(18)9-7-14/h4-10H,1-3H3,(H,20,21)
InChIKeyMAMCRSLHUDVQHJ-UHFFFAOYSA-N
XLogP4.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233032
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide
CID 94188811
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide
CID 89329339
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide (CID 689927) is 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(Cl)cc1)c1cc(C)ccc1C.
What is the InChIKey of 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide?
The InChIKey is MAMCRSLHUDVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-4-5-12(2)16(10-11)13(3)19-20-17(21)14-6-8-15(18)9-7-14/h4-10H,1-3H3,(H,20,21).
What are the key properties of 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide?
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide has a molecular weight of 300.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 689927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).