N-[4-(5-bromothiophen-2-yl)phenyl]formamide

C11H8BrNOS — CID 101352703

IUPACN-[4-(5-bromothiophen-2-yl)phenyl]formamide
SMILESO=CNc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C11H8BrNOS/c12-11-6-5-10(15-11)8-1-3-9(4-2-8)13-7-14/h1-7H,(H,13,14)
InChIKeyHGTIIPCUIIGJHO-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.75
Rot. Bonds3

About N-[4-(5-bromothiophen-2-yl)phenyl]formamide

N-[4-(5-bromothiophen-2-yl)phenyl]formamide (PubChem CID 101352703) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(5-bromothiophen-2-yl)phenyl]formamide
PubChem CID101352703
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC NameN-[4-(5-bromothiophen-2-yl)phenyl]formamide
SMILESO=CNc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C11H8BrNOS/c12-11-6-5-10(15-11)8-1-3-9(4-2-8)13-7-14/h1-7H,(H,13,14)
InChIKeyHGTIIPCUIIGJHO-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)phenyl]formamide?
The IUPAC name of N-[4-(5-bromothiophen-2-yl)phenyl]formamide (CID 101352703) is N-[4-(5-bromothiophen-2-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)phenyl]formamide?
The canonical SMILES for N-[4-(5-bromothiophen-2-yl)phenyl]formamide is O=CNc1ccc(-c2ccc(Br)s2)cc1.
What is the InChIKey of N-[4-(5-bromothiophen-2-yl)phenyl]formamide?
The InChIKey is HGTIIPCUIIGJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c12-11-6-5-10(15-11)8-1-3-9(4-2-8)13-7-14/h1-7H,(H,13,14).
What are the key properties of N-[4-(5-bromothiophen-2-yl)phenyl]formamide?
N-[4-(5-bromothiophen-2-yl)phenyl]formamide has a molecular weight of 282.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromothiophen-2-yl)phenyl]formamide is sourced from PubChem (CID 101352703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).