N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide

C13H17ClN2O3 — CID 17102172

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C13H17ClN2O3/c1-3-4-5-6-13(17)15-11-8-10(14)12(16(18)19)7-9(11)2/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyGBFONIKBJRSNBZ-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.08
Rot. Bonds6

About N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide

N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide (PubChem CID 17102172) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
PubChem CID17102172
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C13H17ClN2O3/c1-3-4-5-6-13(17)15-11-8-10(14)12(16(18)19)7-9(11)2/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyGBFONIKBJRSNBZ-UHFFFAOYSA-N
XLogP4.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
CID 104668158
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 104668230
2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 104668148
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
(E)-4-(5-chloro-2-methyl-4-nitroanilino)-4-oxobut-2-enoic acid
CID 104667808
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2908402
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
CID 17102201
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide (CID 17102172) is N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide is CCCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide?
The InChIKey is GBFONIKBJRSNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-4-5-6-13(17)15-11-8-10(14)12(16(18)19)7-9(11)2/h7-8H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide?
N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide has a molecular weight of 284.74 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide is sourced from PubChem (CID 17102172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).