N-(4-chloro-3-nitrophenyl)hexanamide

C12H15ClN2O3 — CID 4094722

IUPACN-(4-chloro-3-nitrophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15ClN2O3/c1-2-3-4-5-12(16)14-9-6-7-10(13)11(8-9)15(17)18/h6-8H,2-5H2,1H3,(H,14,16)
InChIKeyVJWRCBQQMVCXDC-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.77
Rot. Bonds6

About N-(4-chloro-3-nitrophenyl)hexanamide

N-(4-chloro-3-nitrophenyl)hexanamide (PubChem CID 4094722) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)hexanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)hexanamide
PubChem CID4094722
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-(4-chloro-3-nitrophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15ClN2O3/c1-2-3-4-5-12(16)14-9-6-7-10(13)11(8-9)15(17)18/h6-8H,2-5H2,1H3,(H,14,16)
InChIKeyVJWRCBQQMVCXDC-UHFFFAOYSA-N
XLogP3.77
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)hexanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)hexanamide (CID 4094722) is N-(4-chloro-3-nitrophenyl)hexanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)hexanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)hexanamide is CCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)hexanamide?
The InChIKey is VJWRCBQQMVCXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-3-4-5-12(16)14-9-6-7-10(13)11(8-9)15(17)18/h6-8H,2-5H2,1H3,(H,14,16).
What are the key properties of N-(4-chloro-3-nitrophenyl)hexanamide?
N-(4-chloro-3-nitrophenyl)hexanamide has a molecular weight of 270.72 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)hexanamide is sourced from PubChem (CID 4094722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).