3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide

C10H13ClN4O3 — CID 62237870

IUPAC3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13ClN4O3/c1-2-3-13-10(16)6-4-7(11)9(14-12)8(5-6)15(17)18/h4-5,14H,2-3,12H2,1H3,(H,13,16)
InChIKeyKTJZWSSRXZILJP-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.67
Rot. Bonds5

About 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide

3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide (PubChem CID 62237870) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
PubChem CID62237870
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13ClN4O3/c1-2-3-13-10(16)6-4-7(11)9(14-12)8(5-6)15(17)18/h4-5,14H,2-3,12H2,1H3,(H,13,16)
InChIKeyKTJZWSSRXZILJP-UHFFFAOYSA-N
XLogP1.67
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
CID 62234304
3-chloro-4-hydrazinyl-N-(4-methylpentyl)-5-nitrobenzamide
CID 63004226
3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide
CID 62243070
N-(2-amino-2-oxoethyl)-3-chloro-5-nitro-4-(propylamino)benzamide
CID 62172404
3-chloro-4-(ethylamino)-5-nitro-N-pentylbenzamide
CID 62185228
3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
CID 62236284
3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
CID 113467485
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
3-chloro-5-nitro-4-(propylamino)benzamide
CID 62167214
3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
CID 62170600
3-chloro-5-nitro-N-propan-2-yl-4-(propylamino)benzamide
CID 62170942
3-chloro-4-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-5-nitrobenzamide
CID 62175197

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide?
The IUPAC name of 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide (CID 62237870) is 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide.
What is the SMILES notation for 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide?
The canonical SMILES for 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide is CCCNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide?
The InChIKey is KTJZWSSRXZILJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-2-3-13-10(16)6-4-7(11)9(14-12)8(5-6)15(17)18/h4-5,14H,2-3,12H2,1H3,(H,13,16).
What are the key properties of 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide?
3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide has a molecular weight of 272.69 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide is sourced from PubChem (CID 62237870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).