2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide

C10H11ClF2N2O — CID 83088281

IUPAC2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-2-8(14)10(16)15-9-6(11)3-5(12)4-7(9)13/h3-4,8H,2,14H2,1H3,(H,15,16)
InChIKeyRRQHFKOOHCOKBE-UHFFFAOYSA-N
MW248.66 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide

2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide (PubChem CID 83088281) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
PubChem CID83088281
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC Name2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-2-8(14)10(16)15-9-6(11)3-5(12)4-7(9)13/h3-4,8H,2,14H2,1H3,(H,15,16)
InChIKeyRRQHFKOOHCOKBE-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
CID 83072762
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methoxypropanamide
CID 114145180
4-(2-aminobutanoylamino)-3,5-dichlorobenzoic acid
CID 82831163
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 83088109
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide?
The IUPAC name of 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide (CID 83088281) is 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide is CCC(N)C(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide?
The InChIKey is RRQHFKOOHCOKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c1-2-8(14)10(16)15-9-6(11)3-5(12)4-7(9)13/h3-4,8H,2,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide?
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide has a molecular weight of 248.66 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide is sourced from PubChem (CID 83088281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).