N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

C19H21FN2O — CID 50746912

IUPACN-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2cccc(F)c2)cc1C
InChIInChI=1S/C19H21FN2O/c1-13-8-9-17(11-14(13)2)21-19(23)22-10-4-7-18(22)15-5-3-6-16(20)12-15/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,21,23)
InChIKeyRDIOGNAKBBFZDD-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.81
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 50746912) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID50746912
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2cccc(F)c2)cc1C
InChIInChI=1S/C19H21FN2O/c1-13-8-9-17(11-14(13)2)21-19(23)22-10-4-7-18(22)15-5-3-6-16(20)12-15/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,21,23)
InChIKeyRDIOGNAKBBFZDD-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842
(2S)-N-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 50746912) is N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2c2cccc(F)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is RDIOGNAKBBFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-8-9-17(11-14(13)2)21-19(23)22-10-4-7-18(22)15-5-3-6-16(20)12-15/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50746912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).