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

C18H18ClF2NO2 — CID 78848087

IUPACN-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18ClF2NO2/c1-22(12-14-4-2-3-5-16(14)19)17(23)11-8-13-6-9-15(10-7-13)24-18(20)21/h2-7,9-10,18H,8,11-12H2,1H3
InChIKeyBWCPWCSAOBBOGN-UHFFFAOYSA-N
MW353.80 g/mol
LogP4.53
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (PubChem CID 78848087) has the molecular formula C18H18ClF2NO2 and a molecular weight of 353.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
PubChem CID78848087
Molecular FormulaC18H18ClF2NO2
Molecular Weight353.80 g/mol
Exact Mass353.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18ClF2NO2/c1-22(12-14-4-2-3-5-16(14)19)17(23)11-8-13-6-9-15(10-7-13)24-18(20)21/h2-7,9-10,18H,8,11-12H2,1H3
InChIKeyBWCPWCSAOBBOGN-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (CID 78848087) is N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is CN(Cc1ccccc1Cl)C(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The InChIKey is BWCPWCSAOBBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2NO2/c1-22(12-14-4-2-3-5-16(14)19)17(23)11-8-13-6-9-15(10-7-13)24-18(20)21/h2-7,9-10,18H,8,11-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide has a molecular weight of 353.80 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is sourced from PubChem (CID 78848087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).