2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide

C18H18ClF2NO3 — CID 55575443

IUPAC2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18ClF2NO3/c1-12(24-16-6-4-3-5-15(16)19)17(23)22(2)11-13-7-9-14(10-8-13)25-18(20)21/h3-10,12,18H,11H2,1-2H3
InChIKeyDRKSQIGYZPURRX-UHFFFAOYSA-N
MW369.80 g/mol
LogP4.37
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide

2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide (PubChem CID 55575443) has the molecular formula C18H18ClF2NO3 and a molecular weight of 369.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
PubChem CID55575443
Molecular FormulaC18H18ClF2NO3
Molecular Weight369.80 g/mol
Exact Mass369.09
IUPAC Name2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18ClF2NO3/c1-12(24-16-6-4-3-5-15(16)19)17(23)22(2)11-13-7-9-14(10-8-13)25-18(20)21/h3-10,12,18H,11H2,1-2H3
InChIKeyDRKSQIGYZPURRX-UHFFFAOYSA-N
XLogP4.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739220
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
2-(2-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112777999
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide (CID 55575443) is 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide is CC(Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The InChIKey is DRKSQIGYZPURRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2NO3/c1-12(24-16-6-4-3-5-15(16)19)17(23)22(2)11-13-7-9-14(10-8-13)25-18(20)21/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide has a molecular weight of 369.80 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 55575443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).