1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide

C11H12ClF2N3O — CID 170945234

IUPAC1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
SMILESNC1(C(=O)NNc2ccc(Cl)cc2)CC(F)(F)C1
InChIInChI=1S/C11H12ClF2N3O/c12-7-1-3-8(4-2-7)16-17-9(18)10(15)5-11(13,14)6-10/h1-4,16H,5-6,15H2,(H,17,18)
InChIKeyVRJPGDPNKKOSGG-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.91
Rot. Bonds3

About 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide

1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide (PubChem CID 170945234) has the molecular formula C11H12ClF2N3O and a molecular weight of 275.69 g/mol. Its IUPAC name is 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
PubChem CID170945234
Molecular FormulaC11H12ClF2N3O
Molecular Weight275.69 g/mol
Exact Mass275.06
IUPAC Name1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
SMILESNC1(C(=O)NNc2ccc(Cl)cc2)CC(F)(F)C1
InChIInChI=1S/C11H12ClF2N3O/c12-7-1-3-8(4-2-7)16-17-9(18)10(15)5-11(13,14)6-10/h1-4,16H,5-6,15H2,(H,17,18)
InChIKeyVRJPGDPNKKOSGG-UHFFFAOYSA-N
XLogP1.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
The IUPAC name of 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide (CID 170945234) is 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
The canonical SMILES for 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide is NC1(C(=O)NNc2ccc(Cl)cc2)CC(F)(F)C1.
What is the InChIKey of 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
The InChIKey is VRJPGDPNKKOSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O/c12-7-1-3-8(4-2-7)16-17-9(18)10(15)5-11(13,14)6-10/h1-4,16H,5-6,15H2,(H,17,18).
What are the key properties of 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide?
1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide has a molecular weight of 275.69 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide is sourced from PubChem (CID 170945234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).