N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide

C13H18N4O3 — CID 63996005

IUPACN-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
SMILESCC(CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H18N4O3/c1-8(6-9-2-3-9)15-13(18)10-4-5-12(17(19)20)11(7-10)16-14/h4-5,7-9,16H,2-3,6,14H2,1H3,(H,15,18)
InChIKeyOPCZZMGJIRSMSK-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.80
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide

N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide (PubChem CID 63996005) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
PubChem CID63996005
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
SMILESCC(CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H18N4O3/c1-8(6-9-2-3-9)15-13(18)10-4-5-12(17(19)20)11(7-10)16-14/h4-5,7-9,16H,2-3,6,14H2,1H3,(H,15,18)
InChIKeyOPCZZMGJIRSMSK-UHFFFAOYSA-N
XLogP1.80
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.80
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

N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
3-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62680373
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
CID 82949433
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63961052
N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699393
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
3-(methylamino)-N-(1-methylsulfonylpropan-2-yl)-4-nitrobenzamide
CID 64642302
N-[4-(dimethylamino)butan-2-yl]-3-(methylamino)-4-nitrobenzamide
CID 62681770
3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680724
N-(1-amino-1-oxopropan-2-yl)-3-(methylamino)-4-nitrobenzamide
CID 62681035
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide (CID 63996005) is N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide is CC(CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide?
The InChIKey is OPCZZMGJIRSMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8(6-9-2-3-9)15-13(18)10-4-5-12(17(19)20)11(7-10)16-14/h4-5,7-9,16H,2-3,6,14H2,1H3,(H,15,18).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide?
N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide is sourced from PubChem (CID 63996005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).