3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide

C10H12ClFN2O — CID 116850681

IUPAC3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-14-10(15)5-9(13)7-4-6(11)2-3-8(7)12/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyMMMOWKLNFZSOKU-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.62
Rot. Bonds3

About 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide

3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide (PubChem CID 116850681) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide
PubChem CID116850681
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-14-10(15)5-9(13)7-4-6(11)2-3-8(7)12/h2-4,9H,5,13H2,1H3,(H,14,15)
InChIKeyMMMOWKLNFZSOKU-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
CID 103846565
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795
1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078
ethyl (3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate
CID 104980074
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
methyl (3R)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 171249573
ethyl (3R)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate;hydrochloride
CID 171202939
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide (CID 116850681) is 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide is CNC(=O)CC(N)c1cc(Cl)ccc1F.
What is the InChIKey of 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
The InChIKey is MMMOWKLNFZSOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-14-10(15)5-9(13)7-4-6(11)2-3-8(7)12/h2-4,9H,5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide?
3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide has a molecular weight of 230.67 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-chloro-2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 116850681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).