3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide

C16H22F2N2O2 — CID 113123156

IUPAC3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(F)cc1F)C(C)=O
InChIInChI=1S/C16H22F2N2O2/c1-3-4-5-9-20(12(2)21)10-8-16(22)19-15-7-6-13(17)11-14(15)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeySFJDNDZOIPXUAO-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.33
Rot. Bonds8

About 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide

3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113123156) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113123156
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(F)cc1F)C(C)=O
InChIInChI=1S/C16H22F2N2O2/c1-3-4-5-9-20(12(2)21)10-8-16(22)19-15-7-6-13(17)11-14(15)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeySFJDNDZOIPXUAO-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)hexanamide
CID 3484261
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113160935
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide (CID 113123156) is 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide is CCCCCN(CCC(=O)Nc1ccc(F)cc1F)C(C)=O.
What is the InChIKey of 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is SFJDNDZOIPXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-3-4-5-9-20(12(2)21)10-8-16(22)19-15-7-6-13(17)11-14(15)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22).
What are the key properties of 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide?
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 312.36 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113123156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).