N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide

C18H22FN3O — CID 112981313

IUPACN-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O/c1-22(2)12-11-20-16-7-9-17(10-8-16)21-18(23)13-14-3-5-15(19)6-4-14/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyPVOKOCQOKNPNPU-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.98
Rot. Bonds7

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

N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 112981313) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID112981313
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O/c1-22(2)12-11-20-16-7-9-17(10-8-16)21-18(23)13-14-3-5-15(19)6-4-14/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyPVOKOCQOKNPNPU-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide (CID 112981313) is N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide is CN(C)CCNc1ccc(NC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PVOKOCQOKNPNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-22(2)12-11-20-16-7-9-17(10-8-16)21-18(23)13-14-3-5-15(19)6-4-14/h3-10,20H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 315.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 112981313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).