2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide

C17H16BrF2NO3 — CID 17480805

IUPAC2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2ccccc2Br)ccc1OC(F)F
InChIInChI=1S/C17H16BrF2NO3/c1-23-15-10-11(6-7-14(15)24-17(19)20)8-9-21-16(22)12-4-2-3-5-13(12)18/h2-7,10,17H,8-9H2,1H3,(H,21,22)
InChIKeyKCHWYOLEHDLRDK-UHFFFAOYSA-N
MW400.22 g/mol
LogP4.03
Rot. Bonds7

About 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide

2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide (PubChem CID 17480805) has the molecular formula C17H16BrF2NO3 and a molecular weight of 400.22 g/mol. Its IUPAC name is 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
PubChem CID17480805
Molecular FormulaC17H16BrF2NO3
Molecular Weight400.22 g/mol
Exact Mass399.03
IUPAC Name2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2ccccc2Br)ccc1OC(F)F
InChIInChI=1S/C17H16BrF2NO3/c1-23-15-10-11(6-7-14(15)24-17(19)20)8-9-21-16(22)12-4-2-3-5-13(12)18/h2-7,10,17H,8-9H2,1H3,(H,21,22)
InChIKeyKCHWYOLEHDLRDK-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8528959
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
CID 9482367
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
2-bromo-N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]benzamide
CID 108539137
2-bromo-N-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 26007101
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
4-bromo-N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]benzamide
CID 26443729
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide (CID 17480805) is 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide is COc1cc(CCNC(=O)c2ccccc2Br)ccc1OC(F)F.
What is the InChIKey of 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide?
The InChIKey is KCHWYOLEHDLRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO3/c1-23-15-10-11(6-7-14(15)24-17(19)20)8-9-21-16(22)12-4-2-3-5-13(12)18/h2-7,10,17H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide?
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide has a molecular weight of 400.22 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide is sourced from PubChem (CID 17480805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).