2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide

C12H15ClF2N2O2 — CID 61464183

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C12H15ClF2N2O2/c1-7(11(18)16-2)17-6-8-5-9(13)3-4-10(8)19-12(14)15/h3-5,7,12,17H,6H2,1-2H3,(H,16,18)
InChIKeyBOKCAACEIZZFTR-UHFFFAOYSA-N
MW292.71 g/mol
LogP2.17
Rot. Bonds6

About 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide (PubChem CID 61464183) has the molecular formula C12H15ClF2N2O2 and a molecular weight of 292.71 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
PubChem CID61464183
Molecular FormulaC12H15ClF2N2O2
Molecular Weight292.71 g/mol
Exact Mass292.08
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C12H15ClF2N2O2/c1-7(11(18)16-2)17-6-8-5-9(13)3-4-10(8)19-12(14)15/h3-5,7,12,17H,6H2,1-2H3,(H,16,18)
InChIKeyBOKCAACEIZZFTR-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 115672955
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61057407
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715328
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]heptan-2-amine
CID 43778017
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61464281
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide (CID 61464183) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide?
The InChIKey is BOKCAACEIZZFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O2/c1-7(11(18)16-2)17-6-8-5-9(13)3-4-10(8)19-12(14)15/h3-5,7,12,17H,6H2,1-2H3,(H,16,18).
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide?
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide has a molecular weight of 292.71 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 61464183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).