N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide

C13H19FN2O — CID 55108758

IUPACN-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
SMILESCCC(C)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-10(2)8-15-9-13(17)16-12-6-4-5-11(14)7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeySXDOAGWIUAEZOV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.40
Rot. Bonds6

About N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide

N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide (PubChem CID 55108758) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
PubChem CID55108758
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
SMILESCCC(C)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-10(2)8-15-9-13(17)16-12-6-4-5-11(14)7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeySXDOAGWIUAEZOV-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
CID 114093423
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
N-(3-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954669
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
CID 115626967
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474061
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide (CID 55108758) is N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide is CCC(C)CNCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide?
The InChIKey is SXDOAGWIUAEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-10(2)8-15-9-13(17)16-12-6-4-5-11(14)7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide?
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide is sourced from PubChem (CID 55108758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).