3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide

C21H17N3O3 — CID 1070769

IUPAC3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O3/c1-15(16-10-12-18(13-11-16)17-6-3-2-4-7-17)22-23-21(25)19-8-5-9-20(14-19)24(26)27/h2-14H,1H3,(H,23,25)
InChIKeyKYWNYNXVKQCFNJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.42
Rot. Bonds5

About 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide

3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide (PubChem CID 1070769) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
PubChem CID1070769
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O3/c1-15(16-10-12-18(13-11-16)17-6-3-2-4-7-17)22-23-21(25)19-8-5-9-20(14-19)24(26)27/h2-14H,1H3,(H,23,25)
InChIKeyKYWNYNXVKQCFNJ-UHFFFAOYSA-N
XLogP4.42
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.42
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

3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3383793
3-(3-nitrophenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3778659
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[1-(3-nitrophenyl)ethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869991
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide (CID 1070769) is 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
The InChIKey is KYWNYNXVKQCFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-15(16-10-12-18(13-11-16)17-6-3-2-4-7-17)22-23-21(25)19-8-5-9-20(14-19)24(26)27/h2-14H,1H3,(H,23,25).
What are the key properties of 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 1070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).