2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide

C15H21BrN2O2 — CID 120945907

IUPAC2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCC1CNCC1O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,11-3-5-12(16)6-4-11)14(20)18-8-10-7-17-9-13(10)19/h3-6,10,13,17,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyTYFJZHAPVPSSTH-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.42
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide

2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide (PubChem CID 120945907) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
PubChem CID120945907
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCC1CNCC1O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,11-3-5-12(16)6-4-11)14(20)18-8-10-7-17-9-13(10)19/h3-6,10,13,17,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyTYFJZHAPVPSSTH-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2225812
1-(4-bromophenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 53541752
3-(4-bromo-3-methylphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 71922603
1-[2-(2-Bromophenyl)acetyl]-4-(hydroxymethyl)-N~3~-methyl-3-pyrrolidinecarboxamide
CID 110203640
1-[2-(4-Bromophenyl)acetyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203642
Ac-Gly(tBu)-Hyp-D-Phe(4-Br)-NH2
CID 177375000
(2R)-2-(4-bromophenyl)-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylpropanamide
CID 97859402
(2S,3S)-N-[2-(4-bromophenyl)propyl]-3-hydroxy-2-methylpyrrolidine-1-carboxamide
CID 164630475
(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
CID 70640459
(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-N-(2-hydroxyethyl)-4-oxopentanamide
CID 158814442
3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 134961710
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate
CID 139190819

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide (CID 120945907) is 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide is CC(C)(C(=O)NCC1CNCC1O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
The InChIKey is TYFJZHAPVPSSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,11-3-5-12(16)6-4-11)14(20)18-8-10-7-17-9-13(10)19/h3-6,10,13,17,19H,7-9H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide?
2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 120945907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).