3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide

C18H21FN2O2 — CID 119317323

IUPAC3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(21-18(22)10-11-20)15-4-8-17(9-5-15)23-12-14-2-6-16(19)7-3-14/h2-9,13H,10-12,20H2,1H3,(H,21,22)
InChIKeyWCSCPHWTOZPCKM-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.93
Rot. Bonds7

About 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide

3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide (PubChem CID 119317323) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
PubChem CID119317323
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(21-18(22)10-11-20)15-4-8-17(9-5-15)23-12-14-2-6-16(19)7-3-14/h2-9,13H,10-12,20H2,1H3,(H,21,22)
InChIKeyWCSCPHWTOZPCKM-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide (CID 119317323) is 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide is CC(NC(=O)CCN)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
The InChIKey is WCSCPHWTOZPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(21-18(22)10-11-20)15-4-8-17(9-5-15)23-12-14-2-6-16(19)7-3-14/h2-9,13H,10-12,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide is sourced from PubChem (CID 119317323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).