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

C14H13BrINOS — CID 60654918

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C14H13BrINOS/c1-2-17(9-12-7-8-13(15)19-12)14(18)10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3
InChIKeyOBXUVRZPXSFFED-UHFFFAOYSA-N
MW450.14 g/mol
LogP4.78
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide (PubChem CID 60654918) has the molecular formula C14H13BrINOS and a molecular weight of 450.14 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
PubChem CID60654918
Molecular FormulaC14H13BrINOS
Molecular Weight450.14 g/mol
Exact Mass448.89
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C14H13BrINOS/c1-2-17(9-12-7-8-13(15)19-12)14(18)10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3
InChIKeyOBXUVRZPXSFFED-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.14
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-chloro-N-ethyl-4-iodobenzamide
CID 103221617
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
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]-N-ethyl-2-fluorobenzamide
CID 60655011
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
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938199

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide (CID 60654918) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide?
The InChIKey is OBXUVRZPXSFFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrINOS/c1-2-17(9-12-7-8-13(15)19-12)14(18)10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide has a molecular weight of 450.14 g/mol, XLogP of 4.78, 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-4-iodobenzamide is sourced from PubChem (CID 60654918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).