4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide

C13H10Br2N2O2S — CID 32636145

IUPAC4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C13H10Br2N2O2S/c14-9-5-10(20-11(9)15)13(19)17-6-7-2-1-3-8(4-7)12(16)18/h1-5H,6H2,(H2,16,18)(H,17,19)
InChIKeyRFLNGDJWJIMSTL-UHFFFAOYSA-N
MW418.11 g/mol
LogP3.30
Rot. Bonds4

About 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 32636145) has the molecular formula C13H10Br2N2O2S and a molecular weight of 418.11 g/mol. Its IUPAC name is 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
PubChem CID32636145
Molecular FormulaC13H10Br2N2O2S
Molecular Weight418.11 g/mol
Exact Mass415.88
IUPAC Name4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C13H10Br2N2O2S/c14-9-5-10(20-11(9)15)13(19)17-6-7-2-1-3-8(4-7)12(16)18/h1-5H,6H2,(H2,16,18)(H,17,19)
InChIKeyRFLNGDJWJIMSTL-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.11
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(3-carbamothioylphenyl)methyl]thiophene-2-carboxamide
CID 80536329
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide
CID 115297287
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
3-[(carbamoylamino)methyl]benzamide
CID 166184789
4,5-dibromo-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 112725586
N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 52680419
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 46470427
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide (CID 32636145) is 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide is NC(=O)c1cccc(CNC(=O)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is RFLNGDJWJIMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2S/c14-9-5-10(20-11(9)15)13(19)17-6-7-2-1-3-8(4-7)12(16)18/h1-5H,6H2,(H2,16,18)(H,17,19).
What are the key properties of 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 418.11 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 32636145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).