(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide

C19H20FN3O2 — CID 6379598

IUPAC(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1ccc(F)cc1)=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C19H20FN3O2/c1-14(13-19(25)21-17-10-8-16(20)9-11-17)22-23-18(24)12-7-15-5-3-2-4-6-15/h2-6,8-11H,7,12-13H2,1H3,(H,21,25)(H,23,24)/b22-14-
InChIKeyOKVKBPGOSWLHPC-HMAPJEAMSA-N
MW341.39 g/mol
LogP3.28
Rot. Bonds7

About (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide

(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide (PubChem CID 6379598) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide.

Molecular Properties

Compound Name(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
PubChem CID6379598
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
SMILESC/C(CC(=O)Nc1ccc(F)cc1)=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C19H20FN3O2/c1-14(13-19(25)21-17-10-8-16(20)9-11-17)22-23-18(24)12-7-15-5-3-2-4-6-15/h2-6,8-11H,7,12-13H2,1H3,(H,21,25)(H,23,24)/b22-14-
InChIKeyOKVKBPGOSWLHPC-HMAPJEAMSA-N
XLogP3.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.28
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

(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-2-methoxybenzamide
CID 3129914
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 8022864
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide
CID 126125541
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
The IUPAC name of (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide (CID 6379598) is (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide.
What is the SMILES notation for (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
The canonical SMILES for (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide is C/C(CC(=O)Nc1ccc(F)cc1)=N/NC(=O)CCc1ccccc1.
What is the InChIKey of (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
The InChIKey is OKVKBPGOSWLHPC-HMAPJEAMSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-14(13-19(25)21-17-10-8-16(20)9-11-17)22-23-18(24)12-7-15-5-3-2-4-6-15/h2-6,8-11H,7,12-13H2,1H3,(H,21,25)(H,23,24)/b22-14-.
What are the key properties of (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide?
(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide has a molecular weight of 341.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide is sourced from PubChem (CID 6379598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).