N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide

C16H22ClN3O3 — CID 9265553

IUPACN-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
SMILESO=C(CNC1CCCCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H22ClN3O3/c17-12-8-9-15(20(22)23)14(10-12)19-16(21)11-18-13-6-4-2-1-3-5-7-13/h8-10,13,18H,1-7,11H2,(H,19,21)
InChIKeyCANJEUOGFKZKMD-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.89
Rot. Bonds5

About N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide

N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide (PubChem CID 9265553) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
PubChem CID9265553
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
SMILESO=C(CNC1CCCCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H22ClN3O3/c17-12-8-9-15(20(22)23)14(10-12)19-16(21)11-18-13-6-4-2-1-3-5-7-13/h8-10,13,18H,1-7,11H2,(H,19,21)
InChIKeyCANJEUOGFKZKMD-UHFFFAOYSA-N
XLogP3.89
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.89
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-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265552
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
2-(azepan-1-ium-1-yl)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7872756
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717254
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide (CID 9265553) is N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide is O=C(CNC1CCCCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide?
The InChIKey is CANJEUOGFKZKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c17-12-8-9-15(20(22)23)14(10-12)19-16(21)11-18-13-6-4-2-1-3-5-7-13/h8-10,13,18H,1-7,11H2,(H,19,21).
What are the key properties of N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide?
N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide has a molecular weight of 339.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide is sourced from PubChem (CID 9265553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).