2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide

C10H10BrF2NO2 — CID 172648061

IUPAC2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(F)F)c1Br
InChIInChI=1S/C10H10BrF2NO2/c1-16-7-4-2-3-6(9(7)11)10(15)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyHNFMZZJSCGXUSX-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.45
Rot. Bonds4

About 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide

2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide (PubChem CID 172648061) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide
PubChem CID172648061
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(F)F)c1Br
InChIInChI=1S/C10H10BrF2NO2/c1-16-7-4-2-3-6(9(7)11)10(15)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyHNFMZZJSCGXUSX-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2-bromo-3-methoxy-N,N-dimethylbenzamide
CID 131254879
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide (CID 172648061) is 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide is COc1cccc(C(=O)NCC(F)F)c1Br.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide?
The InChIKey is HNFMZZJSCGXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-16-7-4-2-3-6(9(7)11)10(15)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide?
2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide has a molecular weight of 294.10 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide is sourced from PubChem (CID 172648061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).