2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide

C10H12ClFN2O — CID 115152312

IUPAC2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
SMILESCC(N)C(=O)N(C)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-6(13)10(15)14(2)9-5-7(11)3-4-8(9)12/h3-6H,13H2,1-2H3
InChIKeyVNTOXWJUTRXGLB-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide

2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide (PubChem CID 115152312) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
PubChem CID115152312
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
SMILESCC(N)C(=O)N(C)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-6(13)10(15)14(2)9-5-7(11)3-4-8(9)12/h3-6H,13H2,1-2H3
InChIKeyVNTOXWJUTRXGLB-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.79
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-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
CID 115155218
2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
CID 115187511
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide
CID 79013183
N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115198408
4-(5-bromo-2-fluoro-N-methylanilino)-3-methyl-4-oxobutanoic acid
CID 115164539
N-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187249
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186450
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide (CID 115152312) is 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide is CC(N)C(=O)N(C)c1cc(Cl)ccc1F.
What is the InChIKey of 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
The InChIKey is VNTOXWJUTRXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-6(13)10(15)14(2)9-5-7(11)3-4-8(9)12/h3-6H,13H2,1-2H3.
What are the key properties of 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide has a molecular weight of 230.67 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 115152312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).