4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

C22H18N4O4 — CID 3289474

IUPAC4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H18N4O4/c1-15(16-9-13-20(14-10-16)26(29)30)24-25-22(28)18-7-11-19(12-8-18)23-21(27)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,27)(H,25,28)
InChIKeyDXFMWWSWQAFKIZ-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.00
Rot. Bonds6

About 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 3289474) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID3289474
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H18N4O4/c1-15(16-9-13-20(14-10-16)26(29)30)24-25-22(28)18-7-11-19(12-8-18)23-21(27)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,27)(H,25,28)
InChIKeyDXFMWWSWQAFKIZ-UHFFFAOYSA-N
XLogP4.00
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.00
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

N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3328905
4-nitro-N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6974910
4-nitro-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4194720
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6020436
3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 86809585
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (CID 3289474) is 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is DXFMWWSWQAFKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-15(16-9-13-20(14-10-16)26(29)30)24-25-22(28)18-7-11-19(12-8-18)23-21(27)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,27)(H,25,28).
What are the key properties of 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 402.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3289474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).