2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide

C13H18F2N2O — CID 54908455

IUPAC2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
SMILESCCC(C)NC(C)(C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-8(2)17-13(3,12(16)18)9-5-6-10(14)11(15)7-9/h5-8,17H,4H2,1-3H3,(H2,16,18)
InChIKeyOUXGOBVCGBOZNS-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.05
Rot. Bonds5

About 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide

2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide (PubChem CID 54908455) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
PubChem CID54908455
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
SMILESCCC(C)NC(C)(C(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-4-8(2)17-13(3,12(16)18)9-5-6-10(14)11(15)7-9/h5-8,17H,4H2,1-3H3,(H2,16,18)
InChIKeyOUXGOBVCGBOZNS-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
CID 113388819
2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide
CID 61024007
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)propanamide
CID 54908499
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
methyl 3-(3,4-difluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394404
2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991456
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
methyl 2-(3,4-difluorophenyl)-2-(propan-2-ylamino)propanoate
CID 54919578
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831966
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide (CID 54908455) is 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide is CCC(C)NC(C)(C(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide?
The InChIKey is OUXGOBVCGBOZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-4-8(2)17-13(3,12(16)18)9-5-6-10(14)11(15)7-9/h5-8,17H,4H2,1-3H3,(H2,16,18).
What are the key properties of 2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide?
2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide has a molecular weight of 256.30 g/mol, XLogP of 2.05, 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-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 54908455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).