(3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride

C17H22ClF3N2O2 — CID 120934187

IUPAC(3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1OC1CCC1)[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)14-10-21-9-13(14)16(23)22-8-11-4-1-2-7-15(11)24-12-5-3-6-12;/h1-2,4,7,12-14,21H,3,5-6,8-10H2,(H,22,23);1H/t13-,14-;/m1./s1
InChIKeyZSUZIIWCJGNJFP-DTPOWOMPSA-N
MW378.82 g/mol
LogP3.05
Rot. Bonds5

About (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride

(3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120934187) has the molecular formula C17H22ClF3N2O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120934187
Molecular FormulaC17H22ClF3N2O2
Molecular Weight378.82 g/mol
Exact Mass378.13
IUPAC Name(3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1OC1CCC1)[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)14-10-21-9-13(14)16(23)22-8-11-4-1-2-7-15(11)24-12-5-3-6-12;/h1-2,4,7,12-14,21H,3,5-6,8-10H2,(H,22,23);1H/t13-,14-;/m1./s1
InChIKeyZSUZIIWCJGNJFP-DTPOWOMPSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride 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

(3S,4S)-N-[[2-(2-methoxyethoxy)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927123
(3S,4S)-N-[[2-(ethoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923563
(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119796181
3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119796168
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
(3S,4S)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120931252
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588362
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120934187) is (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1OC1CCC1)[C@@H]1CNC[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZSUZIIWCJGNJFP-DTPOWOMPSA-N. The full InChI is InChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)14-10-21-9-13(14)16(23)22-8-11-4-1-2-7-15(11)24-12-5-3-6-12;/h1-2,4,7,12-14,21H,3,5-6,8-10H2,(H,22,23);1H/t13-,14-;/m1./s1.
What are the key properties of (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride?
(3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120934187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).