4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide

C11H14ClFN2O2 — CID 103154278

IUPAC4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2/c1-17-7(6-14)5-10(16)15-9-4-2-3-8(12)11(9)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeySVOBNCLWMAGZAR-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide

4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide (PubChem CID 103154278) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
PubChem CID103154278
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2/c1-17-7(6-14)5-10(16)15-9-4-2-3-8(12)11(9)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeySVOBNCLWMAGZAR-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide (CID 103154278) is 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide is COC(CN)CC(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide?
The InChIKey is SVOBNCLWMAGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-17-7(6-14)5-10(16)15-9-4-2-3-8(12)11(9)13/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide?
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide has a molecular weight of 260.70 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide is sourced from PubChem (CID 103154278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).