N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

C22H24ClFN2O3 — CID 26335072

IUPACN-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1cc(C[C@]2(CCC(=O)NCc3cccc(Cl)c3)CCC(=O)N2)ccc1F
InChIInChI=1S/C22H24ClFN2O3/c1-29-19-12-15(5-6-18(19)24)13-22(10-8-21(28)26-22)9-7-20(27)25-14-16-3-2-4-17(23)11-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,27)(H,26,28)/t22-/m0/s1
InChIKeyQXRPYGDPXWZHGY-QFIPXVFZSA-N
MW418.90 g/mol
LogP3.78
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 26335072) has the molecular formula C22H24ClFN2O3 and a molecular weight of 418.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID26335072
Molecular FormulaC22H24ClFN2O3
Molecular Weight418.90 g/mol
Exact Mass418.15
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1cc(C[C@]2(CCC(=O)NCc3cccc(Cl)c3)CCC(=O)N2)ccc1F
InChIInChI=1S/C22H24ClFN2O3/c1-29-19-12-15(5-6-18(19)24)13-22(10-8-21(28)26-22)9-7-20(27)25-14-16-3-2-4-17(23)11-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,27)(H,26,28)/t22-/m0/s1
InChIKeyQXRPYGDPXWZHGY-QFIPXVFZSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42449551
3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-1-naphthalen-1-ylethyl]propanamide
CID 42325254
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propanamide
CID 42248412
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
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3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 26280798
3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-thiophen-2-ylethyl)propanamide
CID 45183979
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42321392
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42440951
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]propanamide
CID 26277595
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2S)-1-thiophen-3-ylpropan-2-yl]propanamide
CID 26354471
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-[(5S,7R)-3-hydroxy-1-adamantyl]ethyl]propanamide
CID 25290720

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 26335072) is N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1cc(C[C@]2(CCC(=O)NCc3cccc(Cl)c3)CCC(=O)N2)ccc1F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is QXRPYGDPXWZHGY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24ClFN2O3/c1-29-19-12-15(5-6-18(19)24)13-22(10-8-21(28)26-22)9-7-20(27)25-14-16-3-2-4-17(23)11-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,25,27)(H,26,28)/t22-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 418.90 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 26335072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).