N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

C14H17ClF3N3O3 — CID 119420226

IUPACN-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)cc1N.Cl
InChIInChI=1S/C14H16F3N3O3.ClH/c1-23-11-3-2-9(5-10(11)18)19-13(22)8-4-12(21)20(6-8)7-14(15,16)17;/h2-3,5,8H,4,6-7,18H2,1H3,(H,19,22);1H
InChIKeyIXFLKWYBCCODDU-UHFFFAOYSA-N
MW367.76 g/mol
LogP2.05
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119420226) has the molecular formula C14H17ClF3N3O3 and a molecular weight of 367.76 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119420226
Molecular FormulaC14H17ClF3N3O3
Molecular Weight367.76 g/mol
Exact Mass367.09
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)cc1N.Cl
InChIInChI=1S/C14H16F3N3O3.ClH/c1-23-11-3-2-9(5-10(11)18)19-13(22)8-4-12(21)20(6-8)7-14(15,16)17;/h2-3,5,8H,4,6-7,18H2,1H3,(H,19,22);1H
InChIKeyIXFLKWYBCCODDU-UHFFFAOYSA-N
XLogP2.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119419403
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
N-(4-bromo-3-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55604591
N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119419140
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
(3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 31862001
N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956888
2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
CID 119253907
(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95625398
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55839861
ethyl (E)-3-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 55607918
N-dibenzofuran-3-yl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55693346

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119420226) is N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IXFLKWYBCCODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3.ClH/c1-23-11-3-2-9(5-10(11)18)19-13(22)8-4-12(21)20(6-8)7-14(15,16)17;/h2-3,5,8H,4,6-7,18H2,1H3,(H,19,22);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 367.76 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119420226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).