N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

C16H12Cl2F3N3O — CID 2353624

IUPACN-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2F3N3O/c17-13-5-4-10(6-14(13)18)8-23-24-15(25)9-22-12-3-1-2-11(7-12)16(19,20)21/h1-8,22H,9H2,(H,24,25)
InChIKeyAIOWTRLPFAUVTK-UHFFFAOYSA-N
MW390.19 g/mol
LogP4.57
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 2353624) has the molecular formula C16H12Cl2F3N3O and a molecular weight of 390.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID2353624
Molecular FormulaC16H12Cl2F3N3O
Molecular Weight390.19 g/mol
Exact Mass389.03
IUPAC NameN-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2F3N3O/c17-13-5-4-10(6-14(13)18)8-23-24-15(25)9-22-12-3-1-2-11(7-12)16(19,20)21/h1-8,22H,9H2,(H,24,25)
InChIKeyAIOWTRLPFAUVTK-UHFFFAOYSA-N
XLogP4.57
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 54.57
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

N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 136852090
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 137070113
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353577
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135659384
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135852666
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2314132
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135717023
2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5016763
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 2353624) is N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is AIOWTRLPFAUVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3N3O/c17-13-5-4-10(6-14(13)18)8-23-24-15(25)9-22-12-3-1-2-11(7-12)16(19,20)21/h1-8,22H,9H2,(H,24,25).
What are the key properties of N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 390.19 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 2353624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).