N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide

C18H11F3N2OS — CID 9183125

IUPACN-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc(F)c(F)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H11F3N2OS/c19-13-4-2-12(3-5-13)16-7-8-17(25-16)18(24)23-22-10-11-1-6-14(20)15(21)9-11/h1-10H,(H,23,24)/b22-10-
InChIKeyJOOFNDAJTOAVOU-YVNNLAQVSA-N
MW360.36 g/mol
LogP4.60
Rot. Bonds4

About N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 9183125) has the molecular formula C18H11F3N2OS and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID9183125
Molecular FormulaC18H11F3N2OS
Molecular Weight360.36 g/mol
Exact Mass360.05
IUPAC NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(N/N=C\c1ccc(F)c(F)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H11F3N2OS/c19-13-4-2-12(3-5-13)16-7-8-17(25-16)18(24)23-22-10-11-1-6-14(20)15(21)9-11/h1-10H,(H,23,24)/b22-10-
InChIKeyJOOFNDAJTOAVOU-YVNNLAQVSA-N
XLogP4.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.60
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 N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide 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)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9298316
methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
CID 9298313
2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9182743
N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 841340
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
5-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]thiophene-2-carboxamide
CID 9182631

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 9183125) is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide is O=C(N/N=C\c1ccc(F)c(F)c1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is JOOFNDAJTOAVOU-YVNNLAQVSA-N. The full InChI is InChI=1S/C18H11F3N2OS/c19-13-4-2-12(3-5-13)16-7-8-17(25-16)18(24)23-22-10-11-1-6-14(20)15(21)9-11/h1-10H,(H,23,24)/b22-10-.
What are the key properties of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9183125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).