N-[(2R)-1-oxopropan-2-yl]benzamide

C10H11NO2 — CID 59710359

IUPACN-[(2R)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](C=O)NC(=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(7-12)11-10(13)9-5-3-2-4-6-9/h2-8H,1H3,(H,11,13)/t8-/m1/s1
InChIKeyVTDMSEOCDADRFU-MRVPVSSYSA-N
MW177.20 g/mol
LogP1.00
Rot. Bonds3

About N-[(2R)-1-oxopropan-2-yl]benzamide

N-[(2R)-1-oxopropan-2-yl]benzamide (PubChem CID 59710359) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-[(2R)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-oxopropan-2-yl]benzamide
PubChem CID59710359
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-[(2R)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](C=O)NC(=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(7-12)11-10(13)9-5-3-2-4-6-9/h2-8H,1H3,(H,11,13)/t8-/m1/s1
InChIKeyVTDMSEOCDADRFU-MRVPVSSYSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
4-chloro-N-(1-oxopropan-2-yl)benzamide
CID 54017206
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
2-hydroxy-N-(1-oxopropan-2-yl)benzamide
CID 143616084
N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
CID 59051843
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173402409
CID 68891597
CID 68891597
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
2-benzamido-2-propan-2-ylsulfanylacetic acid
CID 24976504
N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 118066536

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-oxopropan-2-yl]benzamide (CID 59710359) is N-[(2R)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-oxopropan-2-yl]benzamide is C[C@H](C=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1-oxopropan-2-yl]benzamide?
The InChIKey is VTDMSEOCDADRFU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(7-12)11-10(13)9-5-3-2-4-6-9/h2-8H,1H3,(H,11,13)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-oxopropan-2-yl]benzamide?
N-[(2R)-1-oxopropan-2-yl]benzamide has a molecular weight of 177.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 59710359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).