N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide

C16H17FN2O — CID 28754531

IUPACN-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESNCCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-13(2-6-14)11-16(20)19-15-7-3-12(4-8-15)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyYXVYNETVBGTXEE-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.51
Rot. Bonds5

About N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide

N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 28754531) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID28754531
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESNCCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-13(2-6-14)11-16(20)19-15-7-3-12(4-8-15)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyYXVYNETVBGTXEE-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
N-(3-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 107333874

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide (CID 28754531) is N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide is NCCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is YXVYNETVBGTXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-5-1-13(2-6-14)11-16(20)19-15-7-3-12(4-8-15)9-10-18/h1-8H,9-11,18H2,(H,19,20).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 272.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 28754531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).