N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide

C11H14N2O4 — CID 79027526

IUPACN-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CO)c1
InChIInChI=1S/C11H14N2O4/c1-7-3-4-10(13(16)17)9(5-7)11(15)12-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyLHYZYOXNPSEQEL-MRVPVSSYSA-N
MW238.24 g/mol
LogP1.01
Rot. Bonds4

About N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide

N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide (PubChem CID 79027526) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide
PubChem CID79027526
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CO)c1
InChIInChI=1S/C11H14N2O4/c1-7-3-4-10(13(16)17)9(5-7)11(15)12-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyLHYZYOXNPSEQEL-MRVPVSSYSA-N
XLogP1.01
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-nitro-N-pent-4-yn-2-ylbenzamide
CID 115661769
N-(5-chloropentan-2-yl)-5-methyl-2-nitrobenzamide
CID 114305846
3-methyl-2-[(5-methyl-2-nitrobenzoyl)amino]pentanoic acid
CID 65461208
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
N-(5-hydroxy-4-methylpentyl)-5-methyl-2-nitrobenzamide
CID 103861556
N-(1-hydroxypropan-2-yl)-2-methyl-3,5-dinitrobenzamide
CID 78857037
5-methyl-N-(2-methylbutyl)-2-nitrobenzamide
CID 117062719
N-[3-(hydroxymethyl)pentan-3-yl]-5-methyl-2-nitrobenzamide
CID 65463249
N-(1-chloropropan-2-yl)-5-fluoro-2-nitrobenzamide
CID 114299406
N-[(2S)-1-aminopropan-2-yl]-5-fluoro-2-nitrobenzamide
CID 120505682
N-(2,2-dimethoxyethyl)-5-methyl-2-nitrobenzamide
CID 65461021
2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide
CID 43419368

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide (CID 79027526) is N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CO)c1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide?
The InChIKey is LHYZYOXNPSEQEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-3-4-10(13(16)17)9(5-7)11(15)12-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide?
N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide has a molecular weight of 238.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 79027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).