3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide

C23H20N4O4 — CID 3328905

IUPAC3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O4/c1-15-4-3-5-19(14-15)22(28)24-20-10-6-18(7-11-20)23(29)26-25-16(2)17-8-12-21(13-9-17)27(30)31/h3-14H,1-2H3,(H,24,28)(H,26,29)
InChIKeyXGNOGOHUGICJQC-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.31
Rot. Bonds6

About 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide

3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 3328905) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
PubChem CID3328905
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O4/c1-15-4-3-5-19(14-15)22(28)24-20-10-6-18(7-11-20)23(29)26-25-16(2)17-8-12-21(13-9-17)27(30)31/h3-14H,1-2H3,(H,24,28)(H,26,29)
InChIKeyXGNOGOHUGICJQC-UHFFFAOYSA-N
XLogP4.31
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.31
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

4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 122714277
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 86809585
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
N-[4-[(2,4-dinitrophenyl)carbamoyl]phenyl]-3-methylbenzamide
CID 5152612
3-nitro-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6285888
4-nitro-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4194720
4-nitro-N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6974910
3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide
CID 3329054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide (CID 3328905) is 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide is CC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is XGNOGOHUGICJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-15-4-3-5-19(14-15)22(28)24-20-10-6-18(7-11-20)23(29)26-25-16(2)17-8-12-21(13-9-17)27(30)31/h3-14H,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide?
3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 416.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3328905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).