3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide

C14H12Br3NOS — CID 107980280

IUPAC3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H12Br3NOS/c1-2-18(8-12-3-4-13(17)20-12)14(19)9-5-10(15)7-11(16)6-9/h3-7H,2,8H2,1H3
InChIKeyFQGPHXKUAYGJTL-UHFFFAOYSA-N
MW482.04 g/mol
LogP5.70
Rot. Bonds4

About 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide

3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide (PubChem CID 107980280) has the molecular formula C14H12Br3NOS and a molecular weight of 482.04 g/mol. Its IUPAC name is 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
PubChem CID107980280
Molecular FormulaC14H12Br3NOS
Molecular Weight482.04 g/mol
Exact Mass478.82
IUPAC Name3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H12Br3NOS/c1-2-18(8-12-3-4-13(17)20-12)14(19)9-5-10(15)7-11(16)6-9/h3-7H,2,8H2,1H3
InChIKeyFQGPHXKUAYGJTL-UHFFFAOYSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.04
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-N-ethyl-4-iodobenzamide
CID 103221617
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 62954068
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
CID 63525471
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
CID 107184564
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
The IUPAC name of 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide (CID 107980280) is 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
The canonical SMILES for 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
The InChIKey is FQGPHXKUAYGJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NOS/c1-2-18(8-12-3-4-13(17)20-12)14(19)9-5-10(15)7-11(16)6-9/h3-7H,2,8H2,1H3.
What are the key properties of 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide has a molecular weight of 482.04 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 107980280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).