3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

C15H18F3N3O3 — CID 29409246

IUPAC3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESO=C(CCC1CCCC1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)11-6-7-12(13(9-11)21(23)24)19-20-14(22)8-5-10-3-1-2-4-10/h6-7,9-10,19H,1-5,8H2,(H,20,22)
InChIKeySADFVXIXDBWQKW-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.03
Rot. Bonds6

About 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (PubChem CID 29409246) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
PubChem CID29409246
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESO=C(CCC1CCCC1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)11-6-7-12(13(9-11)21(23)24)19-20-14(22)8-5-10-3-1-2-4-10/h6-7,9-10,19H,1-5,8H2,(H,20,22)
InChIKeySADFVXIXDBWQKW-UHFFFAOYSA-N
XLogP4.03
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.03
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

1-cyclohexyl-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea
CID 7941409
N'-[2-nitro-4-(trifluoromethyl)phenyl]oxane-4-carbohydrazide
CID 51192645
2-[2-nitro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 22100123
3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409986
N-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 139638246
N-[4-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 29409622
4-(2,5-dimethylthiophen-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-oxobutanehydrazide
CID 29409912
3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29408778
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409225

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The IUPAC name of 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (CID 29409246) is 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.
What is the SMILES notation for 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The canonical SMILES for 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is O=C(CCC1CCCC1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The InChIKey is SADFVXIXDBWQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)11-6-7-12(13(9-11)21(23)24)19-20-14(22)8-5-10-3-1-2-4-10/h6-7,9-10,19H,1-5,8H2,(H,20,22).
What are the key properties of 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide has a molecular weight of 345.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is sourced from PubChem (CID 29409246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).