3-(3-fluorophenyl)-3-(methylamino)pentanamide

C12H17FN2O — CID 114873102

IUPAC3-(3-fluorophenyl)-3-(methylamino)pentanamide
SMILESCCC(CC(N)=O)(NC)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-12(15-2,8-11(14)16)9-5-4-6-10(13)7-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyJVPOMOCHSZZDDT-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.53
Rot. Bonds5

About 3-(3-fluorophenyl)-3-(methylamino)pentanamide

3-(3-fluorophenyl)-3-(methylamino)pentanamide (PubChem CID 114873102) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(methylamino)pentanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(methylamino)pentanamide
PubChem CID114873102
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-(3-fluorophenyl)-3-(methylamino)pentanamide
SMILESCCC(CC(N)=O)(NC)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-12(15-2,8-11(14)16)9-5-4-6-10(13)7-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyJVPOMOCHSZZDDT-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(methylamino)butanamide
CID 114871926
3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
CID 114873105
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
4-methoxy-3-(methylamino)-3-phenylbutanamide
CID 103466300
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991
2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
CID 114872011
4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(methylamino)pentanamide?
The IUPAC name of 3-(3-fluorophenyl)-3-(methylamino)pentanamide (CID 114873102) is 3-(3-fluorophenyl)-3-(methylamino)pentanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(methylamino)pentanamide?
The canonical SMILES for 3-(3-fluorophenyl)-3-(methylamino)pentanamide is CCC(CC(N)=O)(NC)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(methylamino)pentanamide?
The InChIKey is JVPOMOCHSZZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-12(15-2,8-11(14)16)9-5-4-6-10(13)7-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 3-(3-fluorophenyl)-3-(methylamino)pentanamide?
3-(3-fluorophenyl)-3-(methylamino)pentanamide has a molecular weight of 224.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-(methylamino)pentanamide is sourced from PubChem (CID 114873102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).