N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide

C12H17FN2O2 — CID 43179600

IUPACN-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
SMILESCOCC(C)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(8-17-2)14-7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyGXIWRVRKMAXBNW-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.39
Rot. Bonds6

About N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide

N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide (PubChem CID 43179600) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
PubChem CID43179600
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
SMILESCOCC(C)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(8-17-2)14-7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyGXIWRVRKMAXBNW-UHFFFAOYSA-N
XLogP1.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159602
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089362
N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954667
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
2-(4-methoxybutan-2-ylamino)-N-(4-methoxyphenyl)acetamide
CID 64603020
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43179613
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
N-(4-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 113276454
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide (CID 43179600) is N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide is COCC(C)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide?
The InChIKey is GXIWRVRKMAXBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(8-17-2)14-7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide?
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide is sourced from PubChem (CID 43179600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).