N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide

C13H18BrNO3 — CID 119035408

IUPACN-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3/c1-8(15-12(17)13(2,3)18)11(16)9-4-6-10(14)7-5-9/h4-8,11,16,18H,1-3H3,(H,15,17)
InChIKeyOLJJCAYDLADBOB-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide

N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 119035408) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide
PubChem CID119035408
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3/c1-8(15-12(17)13(2,3)18)11(16)9-4-6-10(14)7-5-9/h4-8,11,16,18H,1-3H3,(H,15,17)
InChIKeyOLJJCAYDLADBOB-UHFFFAOYSA-N
XLogP1.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
CID 170565111
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea
CID 60603723
1-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-propan-2-ylthiourea
CID 94826245
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936569
(3R,4S)-4-(4-bromophenyl)-4-hydroxy-3-methylbutan-2-one
CID 129404262
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81360069

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide (CID 119035408) is N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide is CC(NC(=O)C(C)(C)O)C(O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide?
The InChIKey is OLJJCAYDLADBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-8(15-12(17)13(2,3)18)11(16)9-4-6-10(14)7-5-9/h4-8,11,16,18H,1-3H3,(H,15,17).
What are the key properties of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide?
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 316.19 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 119035408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).