N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H21BrN2O2 — CID 9152244

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c1-14(17-5-2-3-6-18(17)21)22-19(24)13-15-8-10-16(11-9-15)23-12-4-7-20(23)25/h2-3,5-6,8-11,14H,4,7,12-13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeySPAIPNQABLADDG-AWEZNQCLSA-N
MW401.30 g/mol
LogP4.00
Rot. Bonds5

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 9152244) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID9152244
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c1-14(17-5-2-3-6-18(17)21)22-19(24)13-15-8-10-16(11-9-15)23-12-4-7-20(23)25/h2-3,5-6,8-11,14H,4,7,12-13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeySPAIPNQABLADDG-AWEZNQCLSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26371784
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9427052
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51220443
N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9187328
(2R)-N-ethyl-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]propanamide
CID 9470724
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46666498
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41112894
N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498449
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 9152244) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is SPAIPNQABLADDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-14(17-5-2-3-6-18(17)21)22-19(24)13-15-8-10-16(11-9-15)23-12-4-7-20(23)25/h2-3,5-6,8-11,14H,4,7,12-13H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 401.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 9152244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).