2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide

C11H13NO3 — CID 87984886

IUPAC2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@@H](CO)NC(=O)c1ccccc1C=O
InChIInChI=1S/C11H13NO3/c1-8(6-13)12-11(15)10-5-3-2-4-9(10)7-14/h2-5,7-8,13H,6H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyPUIBZCWGZCZZCW-QMMMGPOBSA-N
MW207.23 g/mol
LogP0.61
Rot. Bonds4

About 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide

2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide (PubChem CID 87984886) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
PubChem CID87984886
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@@H](CO)NC(=O)c1ccccc1C=O
InChIInChI=1S/C11H13NO3/c1-8(6-13)12-11(15)10-5-3-2-4-9(10)7-14/h2-5,7-8,13H,6H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyPUIBZCWGZCZZCW-QMMMGPOBSA-N
XLogP0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
(2S)-2-[(2-formylbenzoyl)amino]pentanedioic acid
CID 11529227
dimethyl 2-[(2-formylbenzoyl)amino]pentanedioate;ethane
CID 143020846
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-(2-bromoethyl)-2-formylbenzamide
CID 18508334
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide (CID 87984886) is 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide is C[C@@H](CO)NC(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is PUIBZCWGZCZZCW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(6-13)12-11(15)10-5-3-2-4-9(10)7-14/h2-5,7-8,13H,6H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 87984886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).