N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide

C19H14FN3O2S — CID 89394302

IUPACN-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(NC(=O)c2cccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H14FN3O2S/c20-15-4-1-3-14(11-15)18(24)23-21-12-13-6-8-16(9-7-13)22-19(25)17-5-2-10-26-17/h1-12H,(H,22,25)(H,23,24)/b21-12+
InChIKeyRLGXYOAQPONNQX-CIAFOILYSA-N
MW367.41 g/mol
LogP3.90
Rot. Bonds5

About N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide

N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 89394302) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide
PubChem CID89394302
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC NameN-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(NC(=O)c2cccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H14FN3O2S/c20-15-4-1-3-14(11-15)18(24)23-21-12-13-6-8-16(9-7-13)22-19(25)17-5-2-10-26-17/h1-12H,(H,22,25)(H,23,24)/b21-12+
InChIKeyRLGXYOAQPONNQX-CIAFOILYSA-N
XLogP3.90
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
[2-methoxy-4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
CID 171985527
3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 136828048
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 75534311
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[4-[[(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 171135939

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide (CID 89394302) is N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide is O=C(N/N=C/c1ccc(NC(=O)c2cccs2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is RLGXYOAQPONNQX-CIAFOILYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-15-4-1-3-14(11-15)18(24)23-21-12-13-6-8-16(9-7-13)22-19(25)17-5-2-10-26-17/h1-12H,(H,22,25)(H,23,24)/b21-12+.
What are the key properties of N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide?
N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 89394302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).