4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide

C11H14BrNO2 — CID 146272515

IUPAC4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
SMILESC[C@H](O)CN(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(14)7-13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3/t8-/m0/s1
InChIKeyBUPGZWXGPWSFBA-QMMMGPOBSA-N
MW272.14 g/mol
LogP1.90
Rot. Bonds3

About 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide

4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide (PubChem CID 146272515) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
PubChem CID146272515
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
SMILESC[C@H](O)CN(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(14)7-13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3/t8-/m0/s1
InChIKeyBUPGZWXGPWSFBA-QMMMGPOBSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
CID 115611577
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide
CID 55061167
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methylbenzamide
CID 3737830
N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzamide
CID 7318127
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203
N-benzyl-4-bromo-N-methylbenzamide
CID 751372

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide (CID 146272515) is 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide is C[C@H](O)CN(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide?
The InChIKey is BUPGZWXGPWSFBA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(14)7-13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide?
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide is sourced from PubChem (CID 146272515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).