2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide

C11H14BrNO2 — CID 130618692

IUPAC2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
SMILESCc1cccc(Br)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H14BrNO2/c1-7-4-3-5-9(12)10(7)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeySDAJVNQIXSFKGP-QMMMGPOBSA-N
MW272.14 g/mol
LogP1.87
Rot. Bonds3

About 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide

2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide (PubChem CID 130618692) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
PubChem CID130618692
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
SMILESCc1cccc(Br)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H14BrNO2/c1-7-4-3-5-9(12)10(7)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeySDAJVNQIXSFKGP-QMMMGPOBSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide
CID 130774849
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
N-(1-hydroxypropan-2-yl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110015228
2-bromo-N',N',6-trimethylbenzohydrazide
CID 126989510
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
The IUPAC name of 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide (CID 130618692) is 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide is Cc1cccc(Br)c1C(=O)N[C@@H](C)CO.
What is the InChIKey of 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
The InChIKey is SDAJVNQIXSFKGP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-3-5-9(12)10(7)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)/t8-/m0/s1.
What are the key properties of 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide?
2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide is sourced from PubChem (CID 130618692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).