2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide

C20H21F3N2O — CID 162651851

IUPAC2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide
SMILESCc1cccc(CC(=O)N[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H21F3N2O/c1-13-3-2-4-14(9-13)10-19(26)25-18-12-24-11-17(18)15-5-7-16(8-6-15)20(21,22)23/h2-9,17-18,24H,10-12H2,1H3,(H,25,26)/t17-,18+/m1/s1
InChIKeyOSGJYCXCPKUSAS-MSOLQXFVSA-N
MW362.40 g/mol
LogP3.43
Rot. Bonds4

About 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide

2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide (PubChem CID 162651851) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide
PubChem CID162651851
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide
SMILESCc1cccc(CC(=O)N[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H21F3N2O/c1-13-3-2-4-14(9-13)10-19(26)25-18-12-24-11-17(18)15-5-7-16(8-6-15)20(21,22)23/h2-9,17-18,24H,10-12H2,1H3,(H,25,26)/t17-,18+/m1/s1
InChIKeyOSGJYCXCPKUSAS-MSOLQXFVSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide (CID 162651851) is 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide is Cc1cccc(CC(=O)N[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide?
The InChIKey is OSGJYCXCPKUSAS-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-13-3-2-4-14(9-13)10-19(26)25-18-12-24-11-17(18)15-5-7-16(8-6-15)20(21,22)23/h2-9,17-18,24H,10-12H2,1H3,(H,25,26)/t17-,18+/m1/s1.
What are the key properties of 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide?
2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 162651851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).