3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide

C19H20BrF2NO4 — CID 34988962

IUPAC3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Br)cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H20BrF2NO4/c1-4-26-17-15(20)9-13(10-16(17)25-3)18(24)23(2)11-12-5-7-14(8-6-12)27-19(21)22/h5-10,19H,4,11H2,1-3H3
InChIKeyVEMKGNRYQZPPMW-UHFFFAOYSA-N
MW444.27 g/mol
LogP4.73
Rot. Bonds8

About 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide

3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide (PubChem CID 34988962) has the molecular formula C19H20BrF2NO4 and a molecular weight of 444.27 g/mol. Its IUPAC name is 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
PubChem CID34988962
Molecular FormulaC19H20BrF2NO4
Molecular Weight444.27 g/mol
Exact Mass443.05
IUPAC Name3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Br)cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H20BrF2NO4/c1-4-26-17-15(20)9-13(10-16(17)25-3)18(24)23(2)11-12-5-7-14(8-6-12)27-19(21)22/h5-10,19H,4,11H2,1-3H3
InChIKeyVEMKGNRYQZPPMW-UHFFFAOYSA-N
XLogP4.73
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55344331
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 34763497
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
2-(2-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112777999
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide (CID 34988962) is 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide is CCOc1c(Br)cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC.
What is the InChIKey of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The InChIKey is VEMKGNRYQZPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2NO4/c1-4-26-17-15(20)9-13(10-16(17)25-3)18(24)23(2)11-12-5-7-14(8-6-12)27-19(21)22/h5-10,19H,4,11H2,1-3H3.
What are the key properties of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide has a molecular weight of 444.27 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 34988962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).