(2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide

C23H24ClFN4O — CID 70991685

IUPAC(2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(Cn2c(C)cnc2[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C23H24ClFN4O/c1-15-5-7-17(8-6-15)14-29-16(2)13-26-22(29)21-4-3-11-28(21)23(30)27-20-10-9-18(24)12-19(20)25/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyHIFPHMVFFDAJHI-OAQYLSRUSA-N
MW426.92 g/mol
LogP5.71
Rot. Bonds4

About (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide

(2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 70991685) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID70991685
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC Name(2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(Cn2c(C)cnc2[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C23H24ClFN4O/c1-15-5-7-17(8-6-15)14-29-16(2)13-26-22(29)21-4-3-11-28(21)23(30)27-20-10-9-18(24)12-19(20)25/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,27,30)/t21-/m1/s1
InChIKeyHIFPHMVFFDAJHI-OAQYLSRUSA-N
XLogP5.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.92
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7774556
(2R)-2-[4-[(4-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-N-cycloheptylpyrrolidine-1-carboxamide
CID 53486842
(2S)-N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7347789
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
(2R)-N-(2-fluoro-4-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343589
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
(3S)-N-(4-chloro-2-fluorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 95050541
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
N-(4-chloro-2-methylphenyl)-2-[[4-ethyl-5-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46747599

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide (CID 70991685) is (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide is Cc1ccc(Cn2c(C)cnc2[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is HIFPHMVFFDAJHI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-15-5-7-17(8-6-15)14-29-16(2)13-26-22(29)21-4-3-11-28(21)23(30)27-20-10-9-18(24)12-19(20)25/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,27,30)/t21-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide?
(2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 426.92 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-fluorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 70991685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).