(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide

C19H20ClN3O2 — CID 6369433

IUPAC(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
SMILESC/C(CC(=O)NCc1ccc(Cl)cc1)=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c1-14(22-23-19(25)12-15-5-3-2-4-6-15)11-18(24)21-13-16-7-9-17(20)10-8-16/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyFFKIVPXIMYBEEP-HMAPJEAMSA-N
MW357.84 g/mol
LogP3.08
Rot. Bonds7

About (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide

(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide (PubChem CID 6369433) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
PubChem CID6369433
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
SMILESC/C(CC(=O)NCc1ccc(Cl)cc1)=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c1-14(22-23-19(25)12-15-5-3-2-4-6-15)11-18(24)21-13-16-7-9-17(20)10-8-16/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyFFKIVPXIMYBEEP-HMAPJEAMSA-N
XLogP3.08
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.08
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-[[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-2-fluorobenzamide
CID 3130015
N-[[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 3610690
(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
CID 6229292
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 4207585
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]oxamide
CID 98155827
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 7321134
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide (CID 6369433) is (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide is C/C(CC(=O)NCc1ccc(Cl)cc1)=N/NC(=O)Cc1ccccc1.
What is the InChIKey of (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The InChIKey is FFKIVPXIMYBEEP-HMAPJEAMSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(22-23-19(25)12-15-5-3-2-4-6-15)11-18(24)21-13-16-7-9-17(20)10-8-16/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)/b22-14-.
What are the key properties of (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide has a molecular weight of 357.84 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 6369433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).