N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide

C12H16BrNO2 — CID 79204909

IUPACN-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCCO
InChIInChI=1S/C12H16BrNO2/c1-14(12(16)7-4-8-15)9-10-5-2-3-6-11(10)13/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyXVQMFIDOQRWVPO-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.18
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide

N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide (PubChem CID 79204909) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
PubChem CID79204909
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCCO
InChIInChI=1S/C12H16BrNO2/c1-14(12(16)7-4-8-15)9-10-5-2-3-6-11(10)13/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyXVQMFIDOQRWVPO-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
CID 120500697
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide (CID 79204909) is N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide is CN(Cc1ccccc1Br)C(=O)CCCO.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide?
The InChIKey is XVQMFIDOQRWVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-14(12(16)7-4-8-15)9-10-5-2-3-6-11(10)13/h2-3,5-6,15H,4,7-9H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide?
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide has a molecular weight of 286.17 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 79204909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).