N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C19H21ClF3N3O — CID 119677904

IUPACN-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)C1CCNC1
InChIInChI=1S/C19H20F3N3O.ClH/c20-19(21,22)15-6-7-16(24-11-13-4-2-1-3-5-13)17(10-15)25-18(26)14-8-9-23-12-14;/h1-7,10,14,23-24H,8-9,11-12H2,(H,25,26);1H
InChIKeyMIUZHCFPQFSRNI-UHFFFAOYSA-N
MW399.84 g/mol
LogP4.29
Rot. Bonds5

About N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119677904) has the molecular formula C19H21ClF3N3O and a molecular weight of 399.84 g/mol. Its IUPAC name is N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119677904
Molecular FormulaC19H21ClF3N3O
Molecular Weight399.84 g/mol
Exact Mass399.13
IUPAC NameN-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)C1CCNC1
InChIInChI=1S/C19H20F3N3O.ClH/c20-19(21,22)15-6-7-16(24-11-13-4-2-1-3-5-13)17(10-15)25-18(26)14-8-9-23-12-14;/h1-7,10,14,23-24H,8-9,11-12H2,(H,25,26);1H
InChIKeyMIUZHCFPQFSRNI-UHFFFAOYSA-N
XLogP4.29
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]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

N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119677901
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
CID 119399153
ethyl 4-[[2-(benzylamino)-5-(trifluoromethyl)phenyl]carbamothioylamino]piperidine-1-carboxylate
CID 23345169
N-(2,2-dimethyl-3-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119794374
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide
CID 120586662
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119677904) is N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)C1CCNC1.
What is the InChIKey of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MIUZHCFPQFSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O.ClH/c20-19(21,22)15-6-7-16(24-11-13-4-2-1-3-5-13)17(10-15)25-18(26)14-8-9-23-12-14;/h1-7,10,14,23-24H,8-9,11-12H2,(H,25,26);1H.
What are the key properties of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 399.84 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119677904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).