(1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

C18H21FN2O2 — CID 7364811

IUPAC(1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)C2
InChIInChI=1S/C18H21FN2O2/c1-11-17(2,3)12-8-9-18(11,10-12)16(23)21-20-15(22)13-6-4-5-7-14(13)19/h4-7,12H,1,8-10H2,2-3H3,(H,20,22)(H,21,23)/t12-,18-/m1/s1
InChIKeyDQFDOGWOUFBTGD-KZULUSFZSA-N
MW316.38 g/mol
LogP2.97
Rot. Bonds2

About (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

(1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 7364811) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound Name(1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID7364811
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)C2
InChIInChI=1S/C18H21FN2O2/c1-11-17(2,3)12-8-9-18(11,10-12)16(23)21-20-15(22)13-6-4-5-7-14(13)19/h4-7,12H,1,8-10H2,2-3H3,(H,20,22)(H,21,23)/t12-,18-/m1/s1
InChIKeyDQFDOGWOUFBTGD-KZULUSFZSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (CID 7364811) is (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)C2.
What is the InChIKey of (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is DQFDOGWOUFBTGD-KZULUSFZSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11-17(2,3)12-8-9-18(11,10-12)16(23)21-20-15(22)13-6-4-5-7-14(13)19/h4-7,12H,1,8-10H2,2-3H3,(H,20,22)(H,21,23)/t12-,18-/m1/s1.
What are the key properties of (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
(1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 316.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N'-(2-fluorobenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 7364811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).