N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide

C18H18BrF2NO2 — CID 112835584

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18BrF2NO2/c1-11-9-14(19)10-12(2)17(11)22-16(23)8-5-13-3-6-15(7-4-13)24-18(20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,22,23)
InChIKeyCMEQIXVCMLMSFX-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.24
Rot. Bonds6

About N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide

N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 112835584) has the molecular formula C18H18BrF2NO2 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID112835584
Molecular FormulaC18H18BrF2NO2
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18BrF2NO2/c1-11-9-14(19)10-12(2)17(11)22-16(23)8-5-13-3-6-15(7-4-13)24-18(20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,22,23)
InChIKeyCMEQIXVCMLMSFX-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 86922885
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide
CID 154742273
N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 100796184
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide (CID 112835584) is N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide is Cc1cc(Br)cc(C)c1NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is CMEQIXVCMLMSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2NO2/c1-11-9-14(19)10-12(2)17(11)22-16(23)8-5-13-3-6-15(7-4-13)24-18(20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3,(H,22,23).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 398.25 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 112835584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).