3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide

C21H26FNO2 — CID 100720745

IUPAC3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1cccc(CCCNC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C21H26FNO2/c1-16(2)25-20-7-3-5-18(15-20)6-4-14-23-21(24)13-10-17-8-11-19(22)12-9-17/h3,5,7-9,11-12,15-16H,4,6,10,13-14H2,1-2H3,(H,23,24)
InChIKeyXGLHSTKZPTVFSN-UHFFFAOYSA-N
MW343.44 g/mol
LogP4.29
Rot. Bonds9

About 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide

3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide (PubChem CID 100720745) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
PubChem CID100720745
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1cccc(CCCNC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C21H26FNO2/c1-16(2)25-20-7-3-5-18(15-20)6-4-14-23-21(24)13-10-17-8-11-19(22)12-9-17/h3,5,7-9,11-12,15-16H,4,6,10,13-14H2,1-2H3,(H,23,24)
InChIKeyXGLHSTKZPTVFSN-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.29
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

3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 100603157
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 43898327
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide (CID 100720745) is 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide is CC(C)Oc1cccc(CCCNC(=O)CCc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
The InChIKey is XGLHSTKZPTVFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-16(2)25-20-7-3-5-18(15-20)6-4-14-23-21(24)13-10-17-8-11-19(22)12-9-17/h3,5,7-9,11-12,15-16H,4,6,10,13-14H2,1-2H3,(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide?
3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide has a molecular weight of 343.44 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide is sourced from PubChem (CID 100720745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).