N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide

C18H19FN4O — CID 18379685

IUPACN-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(F)c1)n1nnc2ccccc21
InChIInChI=1S/C18H19FN4O/c1-18(2,3)17(20-16(24)12-7-6-8-13(19)11-12)23-15-10-5-4-9-14(15)21-22-23/h4-11,17H,1-3H3,(H,20,24)
InChIKeySKMFBYCXHAEQAX-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide

N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide (PubChem CID 18379685) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide
PubChem CID18379685
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(F)c1)n1nnc2ccccc21
InChIInChI=1S/C18H19FN4O/c1-18(2,3)17(20-16(24)12-7-6-8-13(19)11-12)23-15-10-5-4-9-14(15)21-22-23/h4-11,17H,1-3H3,(H,20,24)
InChIKeySKMFBYCXHAEQAX-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide 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-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide?
The IUPAC name of N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide (CID 18379685) is N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide is CC(C)(C)C(NC(=O)c1cccc(F)c1)n1nnc2ccccc21.
What is the InChIKey of N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide?
The InChIKey is SKMFBYCXHAEQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-18(2,3)17(20-16(24)12-7-6-8-13(19)11-12)23-15-10-5-4-9-14(15)21-22-23/h4-11,17H,1-3H3,(H,20,24).
What are the key properties of N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide?
N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide has a molecular weight of 326.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-3-fluorobenzamide is sourced from PubChem (CID 18379685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).