4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide

C18H18BrF2NO5 — CID 38966118

IUPAC4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1OC(F)F
InChIInChI=1S/C18H18BrF2NO5/c1-24-12-5-4-10(6-13(12)27-18(20)21)9-22-17(23)11-7-14(25-2)16(19)15(8-11)26-3/h4-8,18H,9H2,1-3H3,(H,22,23)
InChIKeyHUOBNTIEUYCVIR-UHFFFAOYSA-N
MW446.24 g/mol
LogP4.01
Rot. Bonds8

About 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide

4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide (PubChem CID 38966118) has the molecular formula C18H18BrF2NO5 and a molecular weight of 446.24 g/mol. Its IUPAC name is 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
PubChem CID38966118
Molecular FormulaC18H18BrF2NO5
Molecular Weight446.24 g/mol
Exact Mass445.03
IUPAC Name4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1OC(F)F
InChIInChI=1S/C18H18BrF2NO5/c1-24-12-5-4-10(6-13(12)27-18(20)21)9-22-17(23)11-7-14(25-2)16(19)15(8-11)26-3/h4-8,18H,9H2,1-3H3,(H,22,23)
InChIKeyHUOBNTIEUYCVIR-UHFFFAOYSA-N
XLogP4.01
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
CID 42119354
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide (CID 38966118) is 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide is COc1ccc(CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1OC(F)F.
What is the InChIKey of 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is HUOBNTIEUYCVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2NO5/c1-24-12-5-4-10(6-13(12)27-18(20)21)9-22-17(23)11-7-14(25-2)16(19)15(8-11)26-3/h4-8,18H,9H2,1-3H3,(H,22,23).
What are the key properties of 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide?
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 446.24 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 38966118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).