3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide

C18H21FN2O2 — CID 94760274

IUPAC3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)Nc2ccccc2F)cc1N
InChIInChI=1S/C18H21FN2O2/c1-2-11-23-17-9-7-13(12-15(17)20)8-10-18(22)21-16-6-4-3-5-14(16)19/h3-7,9,12H,2,8,10-11,20H2,1H3,(H,21,22)
InChIKeyIMMAJEYPVZXDHQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.77
Rot. Bonds7

About 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide

3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide (PubChem CID 94760274) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
PubChem CID94760274
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)Nc2ccccc2F)cc1N
InChIInChI=1S/C18H21FN2O2/c1-2-11-23-17-9-7-13(12-15(17)20)8-10-18(22)21-16-6-4-3-5-14(16)19/h3-7,9,12H,2,8,10-11,20H2,1H3,(H,21,22)
InChIKeyIMMAJEYPVZXDHQ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 94759139
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
N-(2-fluorophenyl)butanamide
CID 849021
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide (CID 94760274) is 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide is CCCOc1ccc(CCC(=O)Nc2ccccc2F)cc1N.
What is the InChIKey of 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide?
The InChIKey is IMMAJEYPVZXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-11-23-17-9-7-13(12-15(17)20)8-10-18(22)21-16-6-4-3-5-14(16)19/h3-7,9,12H,2,8,10-11,20H2,1H3,(H,21,22).
What are the key properties of 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide?
3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide has a molecular weight of 316.38 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 94760274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).