3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide

C18H21FN2O2 — CID 119306374

IUPAC3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)CCN)cc1
InChIInChI=1S/C18H21FN2O2/c1-23-16-8-4-14(5-9-16)17(21-18(22)10-11-20)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12,20H2,1H3,(H,21,22)
InChIKeyKQNYSTTZJKSJIY-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.58
Rot. Bonds7

About 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide

3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 119306374) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID119306374
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)CCN)cc1
InChIInChI=1S/C18H21FN2O2/c1-23-16-8-4-14(5-9-16)17(21-18(22)10-11-20)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12,20H2,1H3,(H,21,22)
InChIKeyKQNYSTTZJKSJIY-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46820318
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97000116
3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317323
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
3-(4-fluorophenyl)-3-[4-(4-methoxyphenoxy)butanoylamino]propanoic acid
CID 45432084

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide (CID 119306374) is 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(Cc2ccc(F)cc2)NC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is KQNYSTTZJKSJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-16-8-4-14(5-9-16)17(21-18(22)10-11-20)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 119306374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).