N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide

C20H25FN2O — CID 109024992

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-15(2)18-5-3-4-6-19(18)22-14-12-20(24)23-13-11-16-7-9-17(21)10-8-16/h3-10,15,22H,11-14H2,1-2H3,(H,23,24)
InChIKeyQUBWPYSLGHFHRO-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.11
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide

N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide (PubChem CID 109024992) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
PubChem CID109024992
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-15(2)18-5-3-4-6-19(18)22-14-12-20(24)23-13-11-16-7-9-17(21)10-8-16/h3-10,15,22H,11-14H2,1-2H3,(H,23,24)
InChIKeyQUBWPYSLGHFHRO-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
CID 57330094
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
3-(2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036753
N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 28542068
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113116151
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide (CID 109024992) is N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide is CC(C)c1ccccc1NCCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide?
The InChIKey is QUBWPYSLGHFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15(2)18-5-3-4-6-19(18)22-14-12-20(24)23-13-11-16-7-9-17(21)10-8-16/h3-10,15,22H,11-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide has a molecular weight of 328.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109024992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).