(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide

C15H21BrN2O2 — CID 97070958

IUPAC(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[C@@H](C)O
InChIInChI=1S/C15H21BrN2O2/c1-10-5-6-12(16)9-14(10)17-15(20)18-7-3-4-13(18)8-11(2)19/h5-6,9,11,13,19H,3-4,7-8H2,1-2H3,(H,17,20)/t11-,13-/m1/s1
InChIKeyGUZQQRQMZLHQQP-DGCLKSJQSA-N
MW341.25 g/mol
LogP3.52
Rot. Bonds3

About (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide

(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide (PubChem CID 97070958) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide
PubChem CID97070958
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[C@@H](C)O
InChIInChI=1S/C15H21BrN2O2/c1-10-5-6-12(16)9-14(10)17-15(20)18-7-3-4-13(18)8-11(2)19/h5-6,9,11,13,19H,3-4,7-8H2,1-2H3,(H,17,20)/t11-,13-/m1/s1
InChIKeyGUZQQRQMZLHQQP-DGCLKSJQSA-N
XLogP3.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111578765
N-(5-bromo-2-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 124568699
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
CID 97240619
2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61476008
N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 75520829
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 97313947
3-(5-bromo-2-methylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578954
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide (CID 97070958) is (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide is Cc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[C@@H](C)O.
What is the InChIKey of (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide?
The InChIKey is GUZQQRQMZLHQQP-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-5-6-12(16)9-14(10)17-15(20)18-7-3-4-13(18)8-11(2)19/h5-6,9,11,13,19H,3-4,7-8H2,1-2H3,(H,17,20)/t11-,13-/m1/s1.
What are the key properties of (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide?
(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97070958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).