(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide

C18H19ClN4O3 — CID 15681749

IUPAC(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide
SMILESC/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O3/c1-12(21-22-15-8-10-16(11-9-15)23(25)26)18(2,3)17(24)20-14-6-4-13(19)5-7-14/h4-11,22H,1-3H3,(H,20,24)/b21-12+
InChIKeyRKPBDXSCQDEACO-CIAFOILYSA-N
MW374.83 g/mol
LogP4.70
Rot. Bonds6

About (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide

(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide (PubChem CID 15681749) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide
PubChem CID15681749
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide
SMILESC/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O3/c1-12(21-22-15-8-10-16(11-9-15)23(25)26)18(2,3)17(24)20-14-6-4-13(19)5-7-14/h4-11,22H,1-3H3,(H,20,24)/b21-12+
InChIKeyRKPBDXSCQDEACO-CIAFOILYSA-N
XLogP4.70
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
1-chloro-4-nitrobenzene;ethane
CID 90737802
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
CID 71412019

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide (CID 15681749) is (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide is C/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide?
The InChIKey is RKPBDXSCQDEACO-CIAFOILYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-12(21-22-15-8-10-16(11-9-15)23(25)26)18(2,3)17(24)20-14-6-4-13(19)5-7-14/h4-11,22H,1-3H3,(H,20,24)/b21-12+.
What are the key properties of (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide?
(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide has a molecular weight of 374.83 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide is sourced from PubChem (CID 15681749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).