4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide

C12H10BrIN2OS — CID 112750821

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
SMILESNc1ccc(C(=O)NCc2ccc(Br)s2)cc1I
InChIInChI=1S/C12H10BrIN2OS/c13-11-4-2-8(18-11)6-16-12(17)7-1-3-10(15)9(14)5-7/h1-5H,6,15H2,(H,16,17)
InChIKeyIDMQTDUJHLRFSV-UHFFFAOYSA-N
MW437.10 g/mol
LogP3.63
Rot. Bonds3

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide (PubChem CID 112750821) has the molecular formula C12H10BrIN2OS and a molecular weight of 437.10 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
PubChem CID112750821
Molecular FormulaC12H10BrIN2OS
Molecular Weight437.10 g/mol
Exact Mass435.87
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
SMILESNc1ccc(C(=O)NCc2ccc(Br)s2)cc1I
InChIInChI=1S/C12H10BrIN2OS/c13-11-4-2-8(18-11)6-16-12(17)7-1-3-10(15)9(14)5-7/h1-5H,6,15H2,(H,16,17)
InChIKeyIDMQTDUJHLRFSV-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.10
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011768
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
N-[(5-bromothiophen-2-yl)methyl]-3-(chloromethyl)benzamide
CID 54900304
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 32773874
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32776893

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide (CID 112750821) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide is Nc1ccc(C(=O)NCc2ccc(Br)s2)cc1I.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide?
The InChIKey is IDMQTDUJHLRFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2OS/c13-11-4-2-8(18-11)6-16-12(17)7-1-3-10(15)9(14)5-7/h1-5H,6,15H2,(H,16,17).
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide has a molecular weight of 437.10 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide is sourced from PubChem (CID 112750821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).