N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H21F3N2O3 — CID 39513052

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)15-6-4-5-14(13-15)16-8-9-17(28-16)19(27)24-10-12-25-11-3-1-2-7-18(25)26/h4-6,8-9,13H,1-3,7,10-12H2,(H,24,27)
InChIKeyUUSPPPZBDGJZDD-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 39513052) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID39513052
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)15-6-4-5-14(13-15)16-8-9-17(28-16)19(27)24-10-12-25-11-3-1-2-7-18(25)26/h4-6,8-9,13H,1-3,7,10-12H2,(H,24,27)
InChIKeyUUSPPPZBDGJZDD-UHFFFAOYSA-N
XLogP4.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide 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

N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
6-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 45222312
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104727
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938375
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 90651689
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 48731441
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25167327
3-(2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 50959619
5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 131896298
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 39513052) is N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(NCCN1CCCCCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is UUSPPPZBDGJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c21-20(22,23)15-6-4-5-14(13-15)16-8-9-17(28-16)19(27)24-10-12-25-11-3-1-2-7-18(25)26/h4-6,8-9,13H,1-3,7,10-12H2,(H,24,27).
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 39513052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).