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

C14H21FN2O — CID 60852875

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-11(2)16-10-8-14(18)17-9-7-12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyHPEDBOREVXWDQY-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.87
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60852875) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID60852875
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-11(2)16-10-8-14(18)17-9-7-12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyHPEDBOREVXWDQY-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951
1-(4-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556389
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
CID 109024992
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113116151
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide (CID 60852875) is N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is HPEDBOREVXWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(2)16-10-8-14(18)17-9-7-12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 252.33 g/mol, XLogP of 1.87, 7 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-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).