N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide

C19H19F3N2O2 — CID 97427587

IUPACN-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCO[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O2/c1-26-15-10-11-24(12-15)14-8-6-13(7-9-14)23-18(25)16-4-2-3-5-17(16)19(20,21)22/h2-9,15H,10-12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyZRXSQLUEBHZTNK-OAHLLOKOSA-N
MW364.37 g/mol
LogP4.18
Rot. Bonds4

About N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide

N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 97427587) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID97427587
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCO[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O2/c1-26-15-10-11-24(12-15)14-8-6-13(7-9-14)23-18(25)16-4-2-3-5-17(16)19(20,21)22/h2-9,15H,10-12H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyZRXSQLUEBHZTNK-OAHLLOKOSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 72719161
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide (CID 97427587) is N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide is CO[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)C1.
What is the InChIKey of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZRXSQLUEBHZTNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-26-15-10-11-24(12-15)14-8-6-13(7-9-14)23-18(25)16-4-2-3-5-17(16)19(20,21)22/h2-9,15H,10-12H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide?
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 364.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 97427587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).