N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide

C15H19ClF2N2O — CID 82772635

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H19ClF2N2O/c1-14(2)12(19)15(3,4)13(14)20-11(21)7-5-10(18)8(16)6-9(7)17/h5-6,12-13H,19H2,1-4H3,(H,20,21)
InChIKeyBFXLCNAMZUFDRC-UHFFFAOYSA-N
MW316.78 g/mol
LogP3.11
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide (PubChem CID 82772635) has the molecular formula C15H19ClF2N2O and a molecular weight of 316.78 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide
PubChem CID82772635
Molecular FormulaC15H19ClF2N2O
Molecular Weight316.78 g/mol
Exact Mass316.12
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H19ClF2N2O/c1-14(2)12(19)15(3,4)13(14)20-11(21)7-5-10(18)8(16)6-9(7)17/h5-6,12-13H,19H2,1-4H3,(H,20,21)
InChIKeyBFXLCNAMZUFDRC-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide (CID 82772635) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is BFXLCNAMZUFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2O/c1-14(2)12(19)15(3,4)13(14)20-11(21)7-5-10(18)8(16)6-9(7)17/h5-6,12-13H,19H2,1-4H3,(H,20,21).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 316.78 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82772635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).