N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H17N3O3 — CID 91933933

IUPACN-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h5-12H,1-4H2,(H,20,22)/b19-12+
InChIKeyPEJJLNWUXOFKCR-XDHOZWIPSA-N
MW323.35 g/mol
LogP3.24
Rot. Bonds4

About N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 91933933) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID91933933
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h5-12H,1-4H2,(H,20,22)/b19-12+
InChIKeyPEJJLNWUXOFKCR-XDHOZWIPSA-N
XLogP3.24
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.24
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

N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458
N-[(Z)-(4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6278951
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756
N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide
CID 4646693
N-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
CID 5219958
N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide
CID 42065755
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090053

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 91933933) is N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is PEJJLNWUXOFKCR-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h5-12H,1-4H2,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 91933933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).