2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide

C12H17FN2O — CID 61023640

IUPAC2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-8(2)15-11(12(14)16)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)
InChIKeyGSTNVCOWRVSRFM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.74
Rot. Bonds5

About 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide

2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide (PubChem CID 61023640) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
PubChem CID61023640
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
SMILESCCC(C)NC(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-3-8(2)15-11(12(14)16)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)
InChIKeyGSTNVCOWRVSRFM-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
CID 106170791
methyl 2-(4-bromo-3-fluorophenyl)-2-(butan-2-ylamino)acetate
CID 81436887
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide (CID 61023640) is 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide is CCC(C)NC(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide?
The InChIKey is GSTNVCOWRVSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-8(2)15-11(12(14)16)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16).
What are the key properties of 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide?
2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 61023640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).