6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide

C15H21ClN2O4 — CID 70586700

IUPAC6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide
SMILESCCCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCCl
InChIInChI=1S/C15H21ClN2O4/c1-2-10-22-14-8-7-12(18(20)21)11-13(14)17-15(19)6-4-3-5-9-16/h7-8,11H,2-6,9-10H2,1H3,(H,17,19)
InChIKeyVDUFTJKYTRABBQ-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.12
Rot. Bonds10

About 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide

6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide (PubChem CID 70586700) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide
PubChem CID70586700
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide
SMILESCCCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCCl
InChIInChI=1S/C15H21ClN2O4/c1-2-10-22-14-8-7-12(18(20)21)11-13(14)17-15(19)6-4-3-5-9-16/h7-8,11H,2-6,9-10H2,1H3,(H,17,19)
InChIKeyVDUFTJKYTRABBQ-UHFFFAOYSA-N
XLogP4.12
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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

N-(5-nitro-2-propoxyphenyl)decanamide
CID 23276615
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
2-(heptanoylamino)-4-nitrobenzoic acid
CID 63110783
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 19206004
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide?
The IUPAC name of 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide (CID 70586700) is 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide.
What is the SMILES notation for 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide?
The canonical SMILES for 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide is CCCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide?
The InChIKey is VDUFTJKYTRABBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-2-10-22-14-8-7-12(18(20)21)11-13(14)17-15(19)6-4-3-5-9-16/h7-8,11H,2-6,9-10H2,1H3,(H,17,19).
What are the key properties of 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide?
6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide has a molecular weight of 328.80 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide is sourced from PubChem (CID 70586700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).