3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide

C10H12ClFN2O2 — CID 106113926

IUPAC3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFN2O2/c1-16-8(5-13)10(15)14-9-6(11)3-2-4-7(9)12/h2-4,8H,5,13H2,1H3,(H,14,15)
InChIKeyRDWMSZZDZDGUHN-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.39
Rot. Bonds4

About 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide

3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide (PubChem CID 106113926) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide
PubChem CID106113926
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFN2O2/c1-16-8(5-13)10(15)14-9-6(11)3-2-4-7(9)12/h2-4,8H,5,13H2,1H3,(H,14,15)
InChIKeyRDWMSZZDZDGUHN-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methoxypropanamide
CID 114145180
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
3-(2-chloro-6-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114899076
4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
CID 114227566
3-amino-N-(5-chloro-2-pyridinyl)-2-methoxypropanamide
CID 106111210
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide (CID 106113926) is 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide?
The InChIKey is RDWMSZZDZDGUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-16-8(5-13)10(15)14-9-6(11)3-2-4-7(9)12/h2-4,8H,5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide?
3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide has a molecular weight of 246.67 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide is sourced from PubChem (CID 106113926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).