N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide

C12H16BrNO2 — CID 104936569

IUPACN-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(14-11(15)12(2,3)16)9-5-4-6-10(13)7-9/h4-8,16H,1-3H3,(H,14,15)
InChIKeyAPIOIJYJSVLOJP-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.40
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide

N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide (PubChem CID 104936569) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
PubChem CID104936569
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(14-11(15)12(2,3)16)9-5-4-6-10(13)7-9/h4-8,16H,1-3H3,(H,14,15)
InChIKeyAPIOIJYJSVLOJP-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 115426897
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81376845
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
CID 81376410
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
5-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81372143
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
4-[1-(3-bromophenyl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60941341

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide (CID 104936569) is N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide is CC(NC(=O)C(C)(C)O)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is APIOIJYJSVLOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(14-11(15)12(2,3)16)9-5-4-6-10(13)7-9/h4-8,16H,1-3H3,(H,14,15).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide?
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 104936569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).