N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide

C15H23FN2O — CID 110355468

IUPACN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
SMILESCCC(CC(=O)NCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-4-12(13-5-7-14(16)8-6-13)11-15(19)17-9-10-18(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyKMIPBBLONGEMSG-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide (PubChem CID 110355468) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
PubChem CID110355468
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
SMILESCCC(CC(=O)NCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-4-12(13-5-7-14(16)8-6-13)11-15(19)17-9-10-18(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyKMIPBBLONGEMSG-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide (CID 110355468) is N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide is CCC(CC(=O)NCCN(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide?
The InChIKey is KMIPBBLONGEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-12(13-5-7-14(16)8-6-13)11-15(19)17-9-10-18(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide?
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide has a molecular weight of 266.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 110355468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).