N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide

C17H14F4N2O — CID 59865922

IUPACN-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(/N=c1/ccccn1CC1CC1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C17H14F4N2O/c18-12-6-7-14(17(19,20)21)13(9-12)16(24)22-15-3-1-2-8-23(15)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2/b22-15-
InChIKeyOWDWIPPWWVMHTJ-JCMHNJIXSA-N
MW338.30 g/mol
LogP3.80
Rot. Bonds3

About N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide

N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 59865922) has the molecular formula C17H14F4N2O and a molecular weight of 338.30 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide
PubChem CID59865922
Molecular FormulaC17H14F4N2O
Molecular Weight338.30 g/mol
Exact Mass338.10
IUPAC NameN-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(/N=c1/ccccn1CC1CC1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C17H14F4N2O/c18-12-6-7-14(17(19,20)21)13(9-12)16(24)22-15-3-1-2-8-23(15)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2/b22-15-
InChIKeyOWDWIPPWWVMHTJ-JCMHNJIXSA-N
XLogP3.80
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide 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-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide (CID 59865922) is N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide is O=C(/N=c1/ccccn1CC1CC1)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is OWDWIPPWWVMHTJ-JCMHNJIXSA-N. The full InChI is InChI=1S/C17H14F4N2O/c18-12-6-7-14(17(19,20)21)13(9-12)16(24)22-15-3-1-2-8-23(15)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2/b22-15-.
What are the key properties of N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide?
N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 338.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-2-pyridinylidene]-5-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 59865922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).