N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide

C24H22ClN3O — CID 76666429

IUPACN-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NN=Cc2cccc(C=Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C24H22ClN3O/c1-28(2)23-13-11-21(12-14-23)24(29)27-26-17-20-7-3-5-18(15-20)9-10-19-6-4-8-22(25)16-19/h3-17H,1-2H3,(H,27,29)
InChIKeyJWEAOQJBGUGZSC-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.34
Rot. Bonds6

About N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide

N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide (PubChem CID 76666429) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
PubChem CID76666429
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC NameN-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NN=Cc2cccc(C=Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C24H22ClN3O/c1-28(2)23-13-11-21(12-14-23)24(29)27-26-17-20-7-3-5-18(15-20)9-10-19-6-4-8-22(25)16-19/h3-17H,1-2H3,(H,27,29)
InChIKeyJWEAOQJBGUGZSC-UHFFFAOYSA-N
XLogP5.34
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.34
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 127042960
4-(dimethylamino)-N-[[3-[3-(ethylamino)-3-oxoprop-1-enyl]phenyl]methylideneamino]benzamide
CID 75306267
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
CID 122601010
4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide
CID 75306323
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123854459
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide?
The IUPAC name of N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide (CID 76666429) is N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NN=Cc2cccc(C=Cc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide?
The InChIKey is JWEAOQJBGUGZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-28(2)23-13-11-21(12-14-23)24(29)27-26-17-20-7-3-5-18(15-20)9-10-19-6-4-8-22(25)16-19/h3-17H,1-2H3,(H,27,29).
What are the key properties of N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide?
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide has a molecular weight of 403.91 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide is sourced from PubChem (CID 76666429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).