N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide

C22H24N4O4 — CID 1358532

IUPACN-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H24N4O4/c1-15(24-25-22(28)18-10-6-12-20(14-18)26(29)30)17-9-5-11-19(13-17)23-21(27)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,23,27)(H,25,28)
InChIKeyYWMJOVMHBBHMLH-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.27
Rot. Bonds6

About N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide

N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide (PubChem CID 1358532) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
PubChem CID1358532
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H24N4O4/c1-15(24-25-22(28)18-10-6-12-20(14-18)26(29)30)17-9-5-11-19(13-17)23-21(27)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,23,27)(H,25,28)
InChIKeyYWMJOVMHBBHMLH-UHFFFAOYSA-N
XLogP4.27
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.27
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-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
CID 40568232
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4249244
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
N,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
N-[(Z)-1-cyclopropylethylideneamino]-3-nitrobenzamide
CID 5396770
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide (CID 1358532) is N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide is CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide?
The InChIKey is YWMJOVMHBBHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15(24-25-22(28)18-10-6-12-20(14-18)26(29)30)17-9-5-11-19(13-17)23-21(27)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,23,27)(H,25,28).
What are the key properties of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide?
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide has a molecular weight of 408.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 1358532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).