N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

C27H33FN2O2 — CID 26320621

IUPACN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1
InChIInChI=1S/C27H33FN2O2/c1-25(2)18-27(25,21-7-5-4-6-8-21)19-30(3)24(32)14-16-26(15-13-23(31)29-26)17-20-9-11-22(28)12-10-20/h4-12H,13-19H2,1-3H3,(H,29,31)/t26-,27-/m0/s1
InChIKeyVYZZCIMXMREIOD-SVBPBHIXSA-N
MW436.57 g/mol
LogP4.62
Rot. Bonds8

About N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (PubChem CID 26320621) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
PubChem CID26320621
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1
InChIInChI=1S/C27H33FN2O2/c1-25(2)18-27(25,21-7-5-4-6-8-21)19-30(3)24(32)14-16-26(15-13-23(31)29-26)17-20-9-11-22(28)12-10-20/h4-12H,13-19H2,1-3H3,(H,29,31)/t26-,27-/m0/s1
InChIKeyVYZZCIMXMREIOD-SVBPBHIXSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 45220010
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 45168528
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 42471156
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 45179174
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 26349743
3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 45244552
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42434983
N-methyl-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 126463504
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide
CID 26277066
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
CID 124751399
N-methyl-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide
CID 45208504

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (CID 26320621) is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1.
What is the InChIKey of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The InChIKey is VYZZCIMXMREIOD-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-25(2)18-27(25,21-7-5-4-6-8-21)19-30(3)24(32)14-16-26(15-13-23(31)29-26)17-20-9-11-22(28)12-10-20/h4-12H,13-19H2,1-3H3,(H,29,31)/t26-,27-/m0/s1.
What are the key properties of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide has a molecular weight of 436.57 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 26320621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).