2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide

C10H11ClN2O4 — CID 43419368

IUPAC2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide
SMILESCC(CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-6(5-14)12-10(15)8-4-7(13(16)17)2-3-9(8)11/h2-4,6,14H,5H2,1H3,(H,12,15)
InChIKeyNJEZWQULRRQUMY-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.36
Rot. Bonds4

About 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide

2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide (PubChem CID 43419368) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide
PubChem CID43419368
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide
SMILESCC(CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN2O4/c1-6(5-14)12-10(15)8-4-7(13(16)17)2-3-9(8)11/h2-4,6,14H,5H2,1H3,(H,12,15)
InChIKeyNJEZWQULRRQUMY-UHFFFAOYSA-N
XLogP1.36
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.36
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

N-[(2R)-butan-2-yl]-2-chloro-5-nitrobenzamide
CID 40537964
2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide
CID 107191723
2-chloro-N-[(2R)-3-methylbutan-2-yl]-5-nitrobenzamide
CID 28826019
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
N-(1-hydroxypropan-2-yl)-2-methyl-3,5-dinitrobenzamide
CID 78857037
2-chloro-N-(1-methylsulfanylbutan-2-yl)-5-nitrobenzamide
CID 113351028
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-nitrobenzamide
CID 65312867
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
2-chloro-5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 115577625
2-chloro-N-(1-methylsulfinylpropan-2-yl)-4-nitrobenzamide
CID 113415401
2-[(2-chloro-5-nitrophenyl)methylamino]propan-1-ol
CID 43499430
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-nitrobenzamide
CID 46763777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide (CID 43419368) is 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide is CC(CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide?
The InChIKey is NJEZWQULRRQUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-6(5-14)12-10(15)8-4-7(13(16)17)2-3-9(8)11/h2-4,6,14H,5H2,1H3,(H,12,15).
What are the key properties of 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide?
2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide has a molecular weight of 258.66 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 43419368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).