2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide

C15H19ClN2O4 — CID 125144663

IUPAC2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide
SMILESCc1cc(Cl)c(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19ClN2O4/c1-9-6-12(16)11(7-13(9)18(20)21)14(19)17-10-4-5-22-15(2,3)8-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyLODZRQFDGHJDFM-SNVBAGLBSA-N
MW326.78 g/mol
LogP3.24
Rot. Bonds3

About 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide

2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide (PubChem CID 125144663) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide
PubChem CID125144663
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide
SMILESCc1cc(Cl)c(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19ClN2O4/c1-9-6-12(16)11(7-13(9)18(20)21)14(19)17-10-4-5-22-15(2,3)8-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyLODZRQFDGHJDFM-SNVBAGLBSA-N
XLogP3.24
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
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'}

Analyze 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-3-nitrobenzamide
CID 124595499
N-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-nitrobenzamide
CID 103846992
N-(2,2-dimethyloxan-4-yl)-2-hydroxy-5-nitrobenzamide
CID 102553904
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 122132655
2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
CID 113378498
3-[(2,4-dimethyl-5-nitrobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 122109441
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
CID 167929645
2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide
CID 59529848
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide (CID 125144663) is 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide is Cc1cc(Cl)c(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide?
The InChIKey is LODZRQFDGHJDFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-9-6-12(16)11(7-13(9)18(20)21)14(19)17-10-4-5-22-15(2,3)8-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide?
2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide has a molecular weight of 326.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide is sourced from PubChem (CID 125144663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).