2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide

C14H12Br3NOS — CID 107952046

IUPAC2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br3NOS/c1-2-18(8-10-4-6-13(17)20-10)14(19)11-5-3-9(15)7-12(11)16/h3-7H,2,8H2,1H3
InChIKeyPDZJIIKLUDVFCB-UHFFFAOYSA-N
MW482.04 g/mol
LogP5.70
Rot. Bonds4

About 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide

2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide (PubChem CID 107952046) has the molecular formula C14H12Br3NOS and a molecular weight of 482.04 g/mol. Its IUPAC name is 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
PubChem CID107952046
Molecular FormulaC14H12Br3NOS
Molecular Weight482.04 g/mol
Exact Mass478.82
IUPAC Name2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br3NOS/c1-2-18(8-10-4-6-13(17)20-10)14(19)11-5-3-9(15)7-12(11)16/h3-7H,2,8H2,1H3
InChIKeyPDZJIIKLUDVFCB-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

4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
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-2,3-difluorobenzamide
CID 62649246
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
The IUPAC name of 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide (CID 107952046) is 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
The InChIKey is PDZJIIKLUDVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NOS/c1-2-18(8-10-4-6-13(17)20-10)14(19)11-5-3-9(15)7-12(11)16/h3-7H,2,8H2,1H3.
What are the key properties of 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide?
2,4-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 2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 107952046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).