N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide

C14H13BrFNOS — CID 60655011

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccccc1F
InChIInChI=1S/C14H13BrFNOS/c1-2-17(9-10-7-8-13(15)19-10)14(18)11-5-3-4-6-12(11)16/h3-8H,2,9H2,1H3
InChIKeyVDWWKTXMPBNKFQ-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.31
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide (PubChem CID 60655011) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
PubChem CID60655011
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccccc1F
InChIInChI=1S/C14H13BrFNOS/c1-2-17(9-10-7-8-13(15)19-10)14(18)11-5-3-4-6-12(11)16/h3-8H,2,9H2,1H3
InChIKeyVDWWKTXMPBNKFQ-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
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
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
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-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 62954068
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide (CID 60655011) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1ccccc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
The InChIKey is VDWWKTXMPBNKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-2-17(9-10-7-8-13(15)19-10)14(18)11-5-3-4-6-12(11)16/h3-8H,2,9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide has a molecular weight of 342.23 g/mol, XLogP of 4.31, 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-fluorobenzamide is sourced from PubChem (CID 60655011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).