N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide

C14H12BrF2NOS — CID 62649246

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H12BrF2NOS/c1-2-18(8-9-6-7-12(15)20-9)14(19)10-4-3-5-11(16)13(10)17/h3-7H,2,8H2,1H3
InChIKeyJXBAAIFEJHQYLO-UHFFFAOYSA-N
MW360.22 g/mol
LogP4.45
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide (PubChem CID 62649246) has the molecular formula C14H12BrF2NOS and a molecular weight of 360.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
PubChem CID62649246
Molecular FormulaC14H12BrF2NOS
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H12BrF2NOS/c1-2-18(8-9-6-7-12(15)20-9)14(19)10-4-3-5-11(16)13(10)17/h3-7H,2,8H2,1H3
InChIKeyJXBAAIFEJHQYLO-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide
CID 60959260
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
CID 107184564
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide
CID 60938086

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide (CID 62649246) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide?
The InChIKey is JXBAAIFEJHQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NOS/c1-2-18(8-9-6-7-12(15)20-9)14(19)10-4-3-5-11(16)13(10)17/h3-7H,2,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide has a molecular weight of 360.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide is sourced from PubChem (CID 62649246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).