3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide

C10H11BrN2O4 — CID 83032262

IUPAC3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
SMILESC[C@@H](O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H11BrN2O4/c1-6(14)5-12-10(15)7-2-8(11)4-9(3-7)13(16)17/h2-4,6,14H,5H2,1H3,(H,12,15)/t6-/m1/s1
InChIKeyMOXBJVMVPXZMQM-ZCFIWIBFSA-N
MW303.11 g/mol
LogP1.47
Rot. Bonds4

About 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide

3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide (PubChem CID 83032262) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
PubChem CID83032262
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
SMILESC[C@@H](O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H11BrN2O4/c1-6(14)5-12-10(15)7-2-8(11)4-9(3-7)13(16)17/h2-4,6,14H,5H2,1H3,(H,12,15)/t6-/m1/s1
InChIKeyMOXBJVMVPXZMQM-ZCFIWIBFSA-N
XLogP1.47
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.47
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

3-(2-hydroxypropylcarbamoyl)-5-nitrobenzoic acid
CID 22754121
3-bromo-N-(2-chlorobutyl)-5-nitrobenzamide
CID 113492849
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3-bromo-N-[2-(2-hydroxyethyl)pentyl]-5-nitrobenzamide
CID 103819803
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-N-(2-methylpropoxy)-5-nitrobenzamide
CID 115409904
3-bromo-N-(1-iodo-3-methylbutan-2-yl)-5-nitrobenzamide
CID 114010023
3-bromo-N-(1-bromobutan-2-yl)-5-nitrobenzamide
CID 114307736
3-bromo-N-(6-hydroxyhexyl)-5-nitrobenzamide
CID 103919327
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-nitrobenzamide
CID 103820509
3-bromo-N-(4-chloro-2,2-dimethylbutyl)-5-nitrobenzamide
CID 106142912
3-bromo-N-hex-5-ynyl-5-nitrobenzamide
CID 113267943

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide?
The IUPAC name of 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide (CID 83032262) is 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide.
What is the SMILES notation for 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide?
The canonical SMILES for 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide is C[C@@H](O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide?
The InChIKey is MOXBJVMVPXZMQM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-6(14)5-12-10(15)7-2-8(11)4-9(3-7)13(16)17/h2-4,6,14H,5H2,1H3,(H,12,15)/t6-/m1/s1.
What are the key properties of 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide?
3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide has a molecular weight of 303.11 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide is sourced from PubChem (CID 83032262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).