N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide

C17H17N3O3 — CID 9058741

IUPACN-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O3/c1-2-7-16(14-10-6-11-15(12-14)20(22)23)18-19-17(21)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3,(H,19,21)/b18-16-
InChIKeyIBCAIJUMYONICN-VLGSPTGOSA-N
MW311.34 g/mol
LogP3.53
Rot. Bonds6

About N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide

N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide (PubChem CID 9058741) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
PubChem CID9058741
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O3/c1-2-7-16(14-10-6-11-15(12-14)20(22)23)18-19-17(21)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3,(H,19,21)/b18-16-
InChIKeyIBCAIJUMYONICN-VLGSPTGOSA-N
XLogP3.53
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(Z)-1-(3-nitrophenyl)butylideneamino]urea
CID 9017207
1-methyl-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea
CID 9071443
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N,N'-bis[1-(3-nitrophenyl)propylideneamino]hexanediamide
CID 3943265
N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 6538181
1-(3-nitrophenyl)butan-1-one;(E)-1-(3-nitrophenyl)butylidenehydrazine
CID 172928678
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
methyl N-[1-(3-nitrophenyl)propylideneamino]carbamate
CID 91942410
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
3-nitro-N-[1-(2,3,4-trimethoxyphenyl)propylideneamino]benzamide
CID 4306975
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide (CID 9058741) is N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide is CCC/C(=N/NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide?
The InChIKey is IBCAIJUMYONICN-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-7-16(14-10-6-11-15(12-14)20(22)23)18-19-17(21)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3,(H,19,21)/b18-16-.
What are the key properties of N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide?
N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide has a molecular weight of 311.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide is sourced from PubChem (CID 9058741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).