N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide

C16H17F4NO2 — CID 95054883

IUPACN-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C16H17F4NO2/c17-14-4-1-11(7-13(14)16(18,19)20)15(22)21(12-2-3-12)8-10-5-6-23-9-10/h1,4,7,10,12H,2-3,5-6,8-9H2/t10-/m0/s1
InChIKeyPJNCIOOFPFLAKJ-JTQLQIEISA-N
MW331.31 g/mol
LogP3.49
Rot. Bonds4

About N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide

N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 95054883) has the molecular formula C16H17F4NO2 and a molecular weight of 331.31 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID95054883
Molecular FormulaC16H17F4NO2
Molecular Weight331.31 g/mol
Exact Mass331.12
IUPAC NameN-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C16H17F4NO2/c17-14-4-1-11(7-13(14)16(18,19)20)15(22)21(12-2-3-12)8-10-5-6-23-9-10/h1,4,7,10,12H,2-3,5-6,8-9H2/t10-/m0/s1
InChIKeyPJNCIOOFPFLAKJ-JTQLQIEISA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(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

Related Compounds

3-(trans-2-((4,4-difluorocyclohexyl)-amino)cyclopropyl)-N-(tetrahydro-2H-pyran-4-yl)benzamide hydrochloride
CID 117886251
N-(4,4-difluoro-cyclohexyl)-3-(trans-2-(tetrahydro-2H-pyran-4-ylamino)cyclopropyl)-benzamide hydrochloride
CID 118304058
N-(4,4-difluorocyclohexyl)-3-(trans-2-((tetrahydro-2H-pyran-4-ylmethyl)amino)-cyclopropyl)benzamide hydrochloride
CID 118304104
N-cyclopentyl-2-fluoro-5-(trans-2-(tetrahydro-2H-pyran-4-ylamino)cyclopropyl)-benzamide hydrochloride
CID 118304968
2-Pyrrolidinone, 5-ethoxy-1-(3-(trifluoromethyl)benzoyl)-, (+-)-
CID 3077932
2-Pyrrolidinone, 5-butoxy-1-(3-(trifluoromethyl)benzoyl)-, (+-)-
CID 3077939
2,6-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
CID 91915475
N-[(Oxolan-3-YL)methyl]-N-propyl-4-(trifluoromethyl)benzamide
CID 91915481
N-[(Oxolan-3-YL)methyl]-N-propyl-2-(trifluoromethyl)benzamide
CID 91915487
4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209994
2-Pyrrolidinone, 5-(pentyloxy)-1-(3-(trifluoromethyl)benzoyl)-, (+-)-
CID 3077944
2-(3-Fluorophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine
CID 50747118

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide (CID 95054883) is N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide is O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PJNCIOOFPFLAKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F4NO2/c17-14-4-1-11(7-13(14)16(18,19)20)15(22)21(12-2-3-12)8-10-5-6-23-9-10/h1,4,7,10,12H,2-3,5-6,8-9H2/t10-/m0/s1.
What are the key properties of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide?
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 331.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 95054883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).