2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide

C14H14F3N3O2 — CID 3464469

IUPAC2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
SMILESNc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)12(21)9-5-3-7-11(9)19-20-13(22)8-4-1-2-6-10(8)18/h1-2,4,6,19H,3,5,7,18H2,(H,20,22)
InChIKeyQLOQYEFZVNOYEP-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide

2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide (PubChem CID 3464469) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide.

Molecular Properties

Compound Name2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
PubChem CID3464469
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
SMILESNc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)12(21)9-5-3-7-11(9)19-20-13(22)8-4-1-2-6-10(8)18/h1-2,4,6,19H,3,5,7,18H2,(H,20,22)
InChIKeyQLOQYEFZVNOYEP-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 6942
1,2,3-Benzotriazin-4-one
CID 135408793
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CID 81829
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CID 3781218
Benzoic acid, 2-amino-, hydrazide
CID 94728
6-fluoro-1H-indazol-3-ol
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1,2-Dihydrocinnoline-3,4-dione
CID 2726774
N-Acetylanthranilic acid hydrazide
CID 242951
2-Amino-6-fluorobenzamide
CID 2778939
N'-(2-fluorophenyl)benzohydrazide
CID 2812154
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The IUPAC name of 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide (CID 3464469) is 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide.
What is the SMILES notation for 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The canonical SMILES for 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide is Nc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1.
What is the InChIKey of 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The InChIKey is QLOQYEFZVNOYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)12(21)9-5-3-7-11(9)19-20-13(22)8-4-1-2-6-10(8)18/h1-2,4,6,19H,3,5,7,18H2,(H,20,22).
What are the key properties of 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide has a molecular weight of 313.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide is sourced from PubChem (CID 3464469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).