[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride

C13H11Cl2N3O3 — CID 18531718

IUPAC[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride
SMILESO=C(N[NH2+]c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C13H10ClN3O3.ClH/c14-10-3-1-9(2-4-10)13(18)16-15-11-5-7-12(8-6-11)17(19)20;/h1-8,15H,(H,16,18);1H
InChIKeyLTFYZBKVLJNJBT-UHFFFAOYSA-N
MW328.16 g/mol
LogP-1.21
Rot. Bonds4

About [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride

[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride (PubChem CID 18531718) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride
PubChem CID18531718
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride
SMILESO=C(N[NH2+]c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C13H10ClN3O3.ClH/c14-10-3-1-9(2-4-10)13(18)16-15-11-5-7-12(8-6-11)17(19)20;/h1-8,15H,(H,16,18);1H
InChIKeyLTFYZBKVLJNJBT-UHFFFAOYSA-N
XLogP-1.21
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
CID 71412019
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 702118
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
CID 70381437
CID 70381437
N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide
CID 2303956
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
1-chloro-4-nitrobenzene;ethane
CID 90737802
4-chloro-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60582964
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141

Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride?
The IUPAC name of [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride (CID 18531718) is [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride.
What is the SMILES notation for [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride?
The canonical SMILES for [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride is O=C(N[NH2+]c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride?
The InChIKey is LTFYZBKVLJNJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3.ClH/c14-10-3-1-9(2-4-10)13(18)16-15-11-5-7-12(8-6-11)17(19)20;/h1-8,15H,(H,16,18);1H.
What are the key properties of [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride?
[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride has a molecular weight of 328.16 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride is sourced from PubChem (CID 18531718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).