(2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide

C19H21FN2O2 — CID 94081557

IUPAC(2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-13-15-5-2-3-6-17(15)21-19(23)22-12-4-7-18(22)14-8-10-16(20)11-9-14/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyTXIJPVMWNSYIJY-SFHVURJKSA-N
MW328.39 g/mol
LogP4.34
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide

(2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 94081557) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID94081557
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-13-15-5-2-3-6-17(15)21-19(23)22-12-4-7-18(22)14-8-10-16(20)11-9-14/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyTXIJPVMWNSYIJY-SFHVURJKSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide 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

(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
(2S)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51945000
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856141
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 94081557) is (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide is COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is TXIJPVMWNSYIJY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-13-15-5-2-3-6-17(15)21-19(23)22-12-4-7-18(22)14-8-10-16(20)11-9-14/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide?
(2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94081557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).