N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide

C19H20ClF2NO2 — CID 78852104

IUPACN-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20ClF2NO2/c1-13(16-5-3-4-6-17(16)20)23(2)18(24)12-9-14-7-10-15(11-8-14)25-19(21)22/h3-8,10-11,13,19H,9,12H2,1-2H3
InChIKeyIOGUWFHGZWDPFI-UHFFFAOYSA-N
MW367.82 g/mol
LogP5.09
Rot. Bonds7

About N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide

N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (PubChem CID 78852104) has the molecular formula C19H20ClF2NO2 and a molecular weight of 367.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
PubChem CID78852104
Molecular FormulaC19H20ClF2NO2
Molecular Weight367.82 g/mol
Exact Mass367.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20ClF2NO2/c1-13(16-5-3-4-6-17(16)20)23(2)18(24)12-9-14-7-10-15(11-8-14)25-19(21)22/h3-8,10-11,13,19H,9,12H2,1-2H3
InChIKeyIOGUWFHGZWDPFI-UHFFFAOYSA-N
XLogP5.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.82
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (CID 78852104) is N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is CC(c1ccccc1Cl)N(C)C(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The InChIKey is IOGUWFHGZWDPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO2/c1-13(16-5-3-4-6-17(16)20)23(2)18(24)12-9-14-7-10-15(11-8-14)25-19(21)22/h3-8,10-11,13,19H,9,12H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide has a molecular weight of 367.82 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is sourced from PubChem (CID 78852104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).