3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide

C17H26FNO2 — CID 134055920

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)CCc1ccc(OC)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-4-5-6-7-13(2)19-17(20)11-9-14-8-10-16(21-3)15(18)12-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,19,20)
InChIKeyQQTMFNJEWDQFCG-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.85
Rot. Bonds9

About 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide

3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide (PubChem CID 134055920) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
PubChem CID134055920
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)CCc1ccc(OC)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-4-5-6-7-13(2)19-17(20)11-9-14-8-10-16(21-3)15(18)12-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,19,20)
InChIKeyQQTMFNJEWDQFCG-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.85
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-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 86894232
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195057
1-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-[(2R)-2-methylheptyl]thiourea
CID 9328318
5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
CID 64503531
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
3-(5-chloro-2-methoxyanilino)-N-heptan-2-ylpropanamide
CID 56684594
N-butan-2-yl-2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043909
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide (CID 134055920) is 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide is CCCCCC(C)NC(=O)CCc1ccc(OC)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide?
The InChIKey is QQTMFNJEWDQFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-5-6-7-13(2)19-17(20)11-9-14-8-10-16(21-3)15(18)12-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide?
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide has a molecular weight of 295.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide is sourced from PubChem (CID 134055920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).