6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide

C17H25ClN2O2 — CID 130330486

IUPAC6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide
SMILESO=C(CCCCCNCl)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H25ClN2O2/c18-19-12-6-2-5-9-16(21)20-17(10-13-22-14-11-17)15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,20,21)
InChIKeyVICNBCJOFFRTNO-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.11
Rot. Bonds8

About 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide

6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide (PubChem CID 130330486) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide.

Molecular Properties

Compound Name6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide
PubChem CID130330486
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide
SMILESO=C(CCCCCNCl)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H25ClN2O2/c18-19-12-6-2-5-9-16(21)20-17(10-13-22-14-11-17)15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,20,21)
InChIKeyVICNBCJOFFRTNO-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125440939
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride
CID 142638824
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
N-(1-phenylcyclohexyl)butanamide
CID 110478581
N-(4-phenyloxan-4-yl)furan-3-carboxamide
CID 110466381
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125446924
7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
CID 119815402

Frequently Asked Questions

What is the IUPAC name of 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide?
The IUPAC name of 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide (CID 130330486) is 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide.
What is the SMILES notation for 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide?
The canonical SMILES for 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide is O=C(CCCCCNCl)NC1(c2ccccc2)CCOCC1.
What is the InChIKey of 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide?
The InChIKey is VICNBCJOFFRTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c18-19-12-6-2-5-9-16(21)20-17(10-13-22-14-11-17)15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,20,21).
What are the key properties of 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide?
6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide has a molecular weight of 324.85 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide is sourced from PubChem (CID 130330486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).