N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide

C16H17FN2O — CID 16790462

IUPACN-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCC(N)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-11(18)13-4-8-15(9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyBURPFMQEZCROKA-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.03
Rot. Bonds4

About N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide

N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 16790462) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID16790462
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCC(N)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-11(18)13-4-8-15(9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyBURPFMQEZCROKA-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16783462
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide
CID 100803515
2-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 14879850
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide (CID 16790462) is N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide is CC(N)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is BURPFMQEZCROKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11(18)13-4-8-15(9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 272.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16790462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).