4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide

C11H14ClFN2O — CID 115155218

IUPAC4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
SMILESCN(C(=O)CCCN)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2O/c1-15(11(16)3-2-6-14)10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyAMMFAKRWFJEJOQ-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide

4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide (PubChem CID 115155218) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
PubChem CID115155218
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
SMILESCN(C(=O)CCCN)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2O/c1-15(11(16)3-2-6-14)10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyAMMFAKRWFJEJOQ-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
CID 115156651
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
CID 115152312
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
N-(2-fluorophenyl)-N-methylpentanamide
CID 174907677
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162954
methyl 4-(5-chloro-2-fluoro-N-methylanilino)butanoate
CID 115233388
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide?
The IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide (CID 115155218) is 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide is CN(C(=O)CCCN)c1cc(Cl)ccc1F.
What is the InChIKey of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide?
The InChIKey is AMMFAKRWFJEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-15(11(16)3-2-6-14)10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide?
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide has a molecular weight of 244.70 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide is sourced from PubChem (CID 115155218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).