(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide

C19H18ClN5O6 — CID 6229292

IUPAC(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)NCc1ccc(Cl)cc1)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H18ClN5O6/c1-12(8-18(26)21-11-13-2-5-15(20)6-3-13)22-23-19(27)9-14-4-7-16(24(28)29)10-17(14)25(30)31/h2-7,10H,8-9,11H2,1H3,(H,21,26)(H,23,27)/b22-12-
InChIKeyPQXSSOLKIUMKOG-UUYOSTAYSA-N
MW447.84 g/mol
LogP2.90
Rot. Bonds9

About (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide

(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 6229292) has the molecular formula C19H18ClN5O6 and a molecular weight of 447.84 g/mol. Its IUPAC name is (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
PubChem CID6229292
Molecular FormulaC19H18ClN5O6
Molecular Weight447.84 g/mol
Exact Mass447.09
IUPAC Name(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)NCc1ccc(Cl)cc1)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H18ClN5O6/c1-12(8-18(26)21-11-13-2-5-15(20)6-3-13)22-23-19(27)9-14-4-7-16(24(28)29)10-17(14)25(30)31/h2-7,10H,8-9,11H2,1H3,(H,21,26)(H,23,27)/b22-12-
InChIKeyPQXSSOLKIUMKOG-UUYOSTAYSA-N
XLogP2.90
TPSA156.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-N-tert-butyl-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
CID 46501466
(3Z)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 98156361
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 4189831
3-chloro-N-[(Z)-[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 46501890
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(1-phenylethyl)butanamide
CID 5202497
(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 171980690
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 6053942
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270500
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
CID 5355471
2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6039314
4-chloro-N-[(2,4-dinitrophenyl)methyl]aniline
CID 66221122

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide (CID 6229292) is (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide is C/C(CC(=O)NCc1ccc(Cl)cc1)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is PQXSSOLKIUMKOG-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18ClN5O6/c1-12(8-18(26)21-11-13-2-5-15(20)6-3-13)22-23-19(27)9-14-4-7-16(24(28)29)10-17(14)25(30)31/h2-7,10H,8-9,11H2,1H3,(H,21,26)(H,23,27)/b22-12-.
What are the key properties of (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide?
(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 447.84 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 6229292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).