N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide

C15H14N4O3 — CID 6038554

IUPACN-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(/C=N\Nc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N4O3/c1-11(20)17-14-7-12(8-15(9-14)19(21)22)10-16-18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H,17,20)/b16-10-
InChIKeyLSVLTRHPXGJOPF-YBEGLDIGSA-N
MW298.30 g/mol
LogP3.00
Rot. Bonds5

About N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide

N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide (PubChem CID 6038554) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide
PubChem CID6038554
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(/C=N\Nc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N4O3/c1-11(20)17-14-7-12(8-15(9-14)19(21)22)10-16-18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H,17,20)/b16-10-
InChIKeyLSVLTRHPXGJOPF-YBEGLDIGSA-N
XLogP3.00
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.00
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

3-nitro-5-[(E)-(phenylhydrazinylidene)methyl]aniline
CID 12808213
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate
CID 6241136
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-3-nitroaniline
CID 6908593
2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 110842113
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292

Frequently Asked Questions

What is the IUPAC name of N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide (CID 6038554) is N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide is CC(=O)Nc1cc(/C=N\Nc2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide?
The InChIKey is LSVLTRHPXGJOPF-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-11(20)17-14-7-12(8-15(9-14)19(21)22)10-16-18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H,17,20)/b16-10-.
What are the key properties of N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide?
N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide has a molecular weight of 298.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-nitro-5-[(Z)-(phenylhydrazinylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 6038554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).