N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C14H19BrN2O2 — CID 78942430

IUPACN-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H]2CO)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-5-13(12(15)7-10)16-14(19)8-17-6-2-3-11(17)9-18/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyJRCRFELYOWHGEU-NSHDSACASA-N
MW327.22 g/mol
LogP2.15
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 78942430) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID78942430
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H]2CO)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-5-13(12(15)7-10)16-14(19)8-17-6-2-3-11(17)9-18/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyJRCRFELYOWHGEU-NSHDSACASA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690080
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852
N-(2-bromo-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446623
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63255859
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734054
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110919010
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 78942430) is N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC[C@H]2CO)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JRCRFELYOWHGEU-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-4-5-13(12(15)7-10)16-14(19)8-17-6-2-3-11(17)9-18/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78942430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).