N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

C20H16N4O4 — CID 6009175

IUPACN-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N4O4/c25-19(23-22-12-14-8-10-16(11-9-14)24(27)28)13-21-20(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,21,26)(H,23,25)/b22-12-
InChIKeyNPTJAARHYSZKKG-UUYOSTAYSA-N
MW376.37 g/mol
LogP2.63
Rot. Bonds6

About N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 6009175) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID6009175
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N4O4/c25-19(23-22-12-14-8-10-16(11-9-14)24(27)28)13-21-20(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,21,26)(H,23,25)/b22-12-
InChIKeyNPTJAARHYSZKKG-UUYOSTAYSA-N
XLogP2.63
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.63
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

2-chloro-N-[2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3125178
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4670526
N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 67969256
[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6182259
2-methoxy-N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6107015
2-hydroxy-N-[2-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135750575
N-[[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 3388601
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 135685527
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 6296924

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (CID 6009175) is N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is O=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is NPTJAARHYSZKKG-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-19(23-22-12-14-8-10-16(11-9-14)24(27)28)13-21-20(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,21,26)(H,23,25)/b22-12-.
What are the key properties of N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 6009175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).