2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide

C13H19FN2O — CID 60646943

IUPAC2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C13H19FN2O/c1-4-10(3)15-8-13(17)16-12-6-5-9(2)7-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyNWUQOHRNTTUHGR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.46
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide

2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 60646943) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID60646943
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C13H19FN2O/c1-4-10(3)15-8-13(17)16-12-6-5-9(2)7-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyNWUQOHRNTTUHGR-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
N-(2-fluoro-4-methylphenyl)-2-[[(2R)-1-piperidin-1-ylpropan-2-yl]amino]acetamide
CID 95200536
N-(2-fluoro-4-methylphenyl)-2-(1-piperidin-1-ylpropan-2-ylamino)acetamide
CID 56712249
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
(2S)-2-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61199980
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide (CID 60646943) is 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide is CCC(C)NCC(=O)Nc1ccc(C)cc1F.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is NWUQOHRNTTUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-10(3)15-8-13(17)16-12-6-5-9(2)7-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 60646943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).