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

C18H18BrF2NO2 — CID 78848085

IUPACN-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18BrF2NO2/c1-22(12-14-2-7-15(19)8-3-14)17(23)11-6-13-4-9-16(10-5-13)24-18(20)21/h2-5,7-10,18H,6,11-12H2,1H3
InChIKeySFMLMZNEXWSQPC-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.64
Rot. Bonds7

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

N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (PubChem CID 78848085) has the molecular formula C18H18BrF2NO2 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
PubChem CID78848085
Molecular FormulaC18H18BrF2NO2
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC NameN-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18BrF2NO2/c1-22(12-14-2-7-15(19)8-3-14)17(23)11-6-13-4-9-16(10-5-13)24-18(20)21/h2-5,7-10,18H,6,11-12H2,1H3
InChIKeySFMLMZNEXWSQPC-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
4-(3-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55344255
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
N-[(4-bromophenyl)methyl]-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208559
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 55344317
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 78848365
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (CID 78848085) is N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is CN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The InChIKey is SFMLMZNEXWSQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2NO2/c1-22(12-14-2-7-15(19)8-3-14)17(23)11-6-13-4-9-16(10-5-13)24-18(20)21/h2-5,7-10,18H,6,11-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide has a molecular weight of 398.25 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is sourced from PubChem (CID 78848085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).