N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide

C15H23FN2O2 — CID 106010205

IUPACN-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide
SMILESCC(C)OCCCCNCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-12(2)20-10-6-5-9-17-11-15(19)18-14-8-4-3-7-13(14)16/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeySCWOSWGSTREZMR-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.56
Rot. Bonds9

About N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide

N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide (PubChem CID 106010205) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide
PubChem CID106010205
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide
SMILESCC(C)OCCCCNCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-12(2)20-10-6-5-9-17-11-15(19)18-14-8-4-3-7-13(14)16/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeySCWOSWGSTREZMR-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 28568733
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
CID 103604920
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide (CID 106010205) is N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide is CC(C)OCCCCNCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide?
The InChIKey is SCWOSWGSTREZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-12(2)20-10-6-5-9-17-11-15(19)18-14-8-4-3-7-13(14)16/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide?
N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide has a molecular weight of 282.36 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide is sourced from PubChem (CID 106010205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).