3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide

C16H11F5N4O — CID 146590763

IUPAC3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc2n[nH]nc2c1CNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H11F5N4O/c1-7-2-3-12-14(24-25-23-12)9(7)6-22-15(26)8-4-10(17)13(11(18)5-8)16(19,20)21/h2-5H,6H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLAJARTYFHFXMOY-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.49
Rot. Bonds3

About 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide

3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 146590763) has the molecular formula C16H11F5N4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID146590763
Molecular FormulaC16H11F5N4O
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc2n[nH]nc2c1CNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H11F5N4O/c1-7-2-3-12-14(24-25-23-12)9(7)6-22-15(26)8-4-10(17)13(11(18)5-8)16(19,20)21/h2-5H,6H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLAJARTYFHFXMOY-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
CID 142522029
N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453512
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 77085196
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096
3-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide
CID 111436034
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide (CID 146590763) is 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide is Cc1ccc2n[nH]nc2c1CNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LAJARTYFHFXMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4O/c1-7-2-3-12-14(24-25-23-12)9(7)6-22-15(26)8-4-10(17)13(11(18)5-8)16(19,20)21/h2-5H,6H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide?
3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 370.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 146590763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).