(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C17H21BrN2O2 — CID 95580520

IUPAC(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)CC1=O
InChIInChI=1S/C17H21BrN2O2/c1-2-20-11-12(9-15(20)21)16(22)19-17(7-4-8-17)13-5-3-6-14(18)10-13/h3,5-6,10,12H,2,4,7-9,11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyYJRSKKIZXZGDRE-LBPRGKRZSA-N
MW365.27 g/mol
LogP2.81
Rot. Bonds4

About (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95580520) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95580520
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)CC1=O
InChIInChI=1S/C17H21BrN2O2/c1-2-20-11-12(9-15(20)21)16(22)19-17(7-4-8-17)13-5-3-6-14(18)10-13/h3,5-6,10,12H,2,4,7-9,11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyYJRSKKIZXZGDRE-LBPRGKRZSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)cyclobutyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71888395
5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 86948605
2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79848389
(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
CID 120789412
9-amino-N-[1-(3-bromophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990587
N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119800393
1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294502
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
(3R)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206513
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132860
1-[(3-bromophenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109647

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 95580520) is (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)CC1=O.
What is the InChIKey of (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YJRSKKIZXZGDRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-2-20-11-12(9-15(20)21)16(22)19-17(7-4-8-17)13-5-3-6-14(18)10-13/h3,5-6,10,12H,2,4,7-9,11H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95580520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).