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

C14H12Br2FNOS — CID 60674504

IUPAC4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H12Br2FNOS/c1-2-18(8-10-4-6-13(16)20-10)14(19)11-5-3-9(15)7-12(11)17/h3-7H,2,8H2,1H3
InChIKeyNZBGBGYHVHZSGB-UHFFFAOYSA-N
MW421.13 g/mol
LogP5.07
Rot. Bonds4

About 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide

4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide (PubChem CID 60674504) has the molecular formula C14H12Br2FNOS and a molecular weight of 421.13 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
PubChem CID60674504
Molecular FormulaC14H12Br2FNOS
Molecular Weight421.13 g/mol
Exact Mass418.90
IUPAC Name4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H12Br2FNOS/c1-2-18(8-10-4-6-13(16)20-10)14(19)11-5-3-9(15)7-12(11)17/h3-7H,2,8H2,1H3
InChIKeyNZBGBGYHVHZSGB-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.13
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 62954068
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
CID 107184564
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide
CID 60938086
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
CID 63525471
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-N-ethyl-4-iodobenzamide
CID 103221617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide (CID 60674504) is 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
The InChIKey is NZBGBGYHVHZSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNOS/c1-2-18(8-10-4-6-13(16)20-10)14(19)11-5-3-9(15)7-12(11)17/h3-7H,2,8H2,1H3.
What are the key properties of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide?
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide has a molecular weight of 421.13 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 60674504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).