4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide

C16H13Cl2N3O3 — CID 55335047

IUPAC4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13Cl2N3O3/c17-10-2-5-12(18)14(8-10)20-16(22)9-1-6-13(19-11-3-4-11)15(7-9)21(23)24/h1-2,5-8,11,19H,3-4H2,(H,20,22)
InChIKeyOOGUCYSXODNAIV-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.73
Rot. Bonds5

About 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide

4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide (PubChem CID 55335047) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide
PubChem CID55335047
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13Cl2N3O3/c17-10-2-5-12(18)14(8-10)20-16(22)9-1-6-13(19-11-3-4-11)15(7-9)21(23)24/h1-2,5-8,11,19H,3-4H2,(H,20,22)
InChIKeyOOGUCYSXODNAIV-UHFFFAOYSA-N
XLogP4.73
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylamino)-N-(2-fluoro-5-nitrophenyl)-3-nitrobenzamide
CID 55348491
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
3-chloro-N-[2-chloro-5-(cyclohexylamino)-4-nitrophenyl]benzamide
CID 50881478
4-(cyclopropylamino)-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide
CID 9147384
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
CID 17405597
N-[4-(4-chlorophenoxy)butyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 24533644
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 52724340
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196636
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1336327

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide (CID 55335047) is 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The InChIKey is OOGUCYSXODNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c17-10-2-5-12(18)14(8-10)20-16(22)9-1-6-13(19-11-3-4-11)15(7-9)21(23)24/h1-2,5-8,11,19H,3-4H2,(H,20,22).
What are the key properties of 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide has a molecular weight of 366.20 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 55335047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).