N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H22FN3O3 — CID 9156547

IUPACN-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22FN3O3/c1-24(14-16-5-2-3-6-18(16)22)20(27)13-23-21(28)15-8-10-17(11-9-15)25-12-4-7-19(25)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,23,28)
InChIKeyYEVNSFHWXNXIBU-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.34
Rot. Bonds6

About N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9156547) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9156547
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22FN3O3/c1-24(14-16-5-2-3-6-18(16)22)20(27)13-23-21(28)15-8-10-17(11-9-15)25-12-4-7-19(25)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,23,28)
InChIKeyYEVNSFHWXNXIBU-UHFFFAOYSA-N
XLogP2.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9228101
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24545208
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 31211499
N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27670701
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9073524
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 9156547) is N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is YEVNSFHWXNXIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-24(14-16-5-2-3-6-18(16)22)20(27)13-23-21(28)15-8-10-17(11-9-15)25-12-4-7-19(25)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,23,28).
What are the key properties of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 383.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9156547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).