N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide

C19H18N4O4 — CID 40568232

IUPACN-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
SMILESC/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H18N4O4/c1-12(14-5-4-6-15(11-14)20-18(24)13-9-10-13)21-22-19(25)16-7-2-3-8-17(16)23(26)27/h2-8,11,13H,9-10H2,1H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyQJUNAKCKHYRVMF-CIAFOILYSA-N
MW366.38 g/mol
LogP3.10
Rot. Bonds6

About N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide

N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide (PubChem CID 40568232) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
PubChem CID40568232
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
SMILESC/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H18N4O4/c1-12(14-5-4-6-15(11-14)20-18(24)13-9-10-13)21-22-19(25)16-7-2-3-8-17(16)23(26)27/h2-8,11,13H,9-10H2,1H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyQJUNAKCKHYRVMF-CIAFOILYSA-N
XLogP3.10
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.10
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-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 6178413
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 7308855
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 3425855
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 4121616
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-[3-[(E)-C-methyl-N-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]carbonimidoyl]phenyl]cyclopentanecarboxamide
CID 17349536

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide (CID 40568232) is N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide is C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide?
The InChIKey is QJUNAKCKHYRVMF-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12(14-5-4-6-15(11-14)20-18(24)13-9-10-13)21-22-19(25)16-7-2-3-8-17(16)23(26)27/h2-8,11,13H,9-10H2,1H3,(H,20,24)(H,22,25)/b21-12+.
What are the key properties of N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide?
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide has a molecular weight of 366.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 40568232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).