N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C20H27FN2O2 — CID 4108715

IUPACN-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H27FN2O2/c1-20(19(25)22-17-6-4-2-3-5-7-17)13-12-18(24)23(20)14-15-8-10-16(21)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,22,25)
InChIKeyUMFKUUXTQXLIOB-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.55
Rot. Bonds4

About N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 4108715) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID4108715
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H27FN2O2/c1-20(19(25)22-17-6-4-2-3-5-7-17)13-12-18(24)23(20)14-15-8-10-16(21)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,22,25)
InChIKeyUMFKUUXTQXLIOB-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907
N-cyclooctyl-1-[(4-ethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 20968052
1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4099290
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039
(2S)-N-cyclooctyl-1-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92705624
N-cyclopentyl-1-ethyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 45106070
4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide
CID 11058347
4-benzyl-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide
CID 11111185
N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 22429047
N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522330
4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide
CID 12013366

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 4108715) is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UMFKUUXTQXLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-20(19(25)22-17-6-4-2-3-5-7-17)13-12-18(24)23(20)14-15-8-10-16(21)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,22,25).
What are the key properties of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4108715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).