2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide

C15H22N2O4 — CID 20715419

IUPAC2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H22N2O4/c1-14(2,3)9-15(4,5)16-13(19)10-7-6-8-11(12(10)18)17(20)21/h6-8,18H,9H2,1-5H3,(H,16,19)
InChIKeyKPZAEHBRMXFVON-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.24
Rot. Bonds4

About 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide

2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 20715419) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID20715419
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H22N2O4/c1-14(2,3)9-15(4,5)16-13(19)10-7-6-8-11(12(10)18)17(20)21/h6-8,18H,9H2,1-5H3,(H,16,19)
InChIKeyKPZAEHBRMXFVON-UHFFFAOYSA-N
XLogP3.24
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.24
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

2-hydroxy-3-nitrobenzohydrazide
CID 11367606
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
CID 58418423
CID 58418423
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
CID 110000875
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-3-nitrobenzamide
CID 103800350
2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104862632
N'-(2,2-diethoxypropanoyl)-2-hydroxy-3-nitrobenzohydrazide
CID 99794751
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 20715419) is 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is KPZAEHBRMXFVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-14(2,3)9-15(4,5)16-13(19)10-7-6-8-11(12(10)18)17(20)21/h6-8,18H,9H2,1-5H3,(H,16,19).
What are the key properties of 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 20715419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).