3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide

C16H23FN2O2 — CID 113119070

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C16H23FN2O2/c1-4-12(2)18-16(21)9-10-19(13(3)20)11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyMQWCKGWPZDNSON-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.48
Rot. Bonds7

About 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide (PubChem CID 113119070) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
PubChem CID113119070
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C16H23FN2O2/c1-4-12(2)18-16(21)9-10-19(13(3)20)11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyMQWCKGWPZDNSON-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
CID 113161359
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113119233
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide (CID 113119070) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN(Cc1ccccc1F)C(C)=O.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is MQWCKGWPZDNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-12(2)18-16(21)9-10-19(13(3)20)11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 294.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 113119070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).