2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide

C19H14Br2N2O2S — CID 55972093

IUPAC2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cc(Br)cs1)c1ccccc1Br
InChIInChI=1S/C19H14Br2N2O2S/c20-12-9-13(26-11-12)10-22-18(24)15-6-2-4-8-17(15)23-19(25)14-5-1-3-7-16(14)21/h1-9,11H,10H2,(H,22,24)(H,23,25)
InChIKeyFPIGETWURGWKJI-UHFFFAOYSA-N
MW494.21 g/mol
LogP5.46
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide

2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide (PubChem CID 55972093) has the molecular formula C19H14Br2N2O2S and a molecular weight of 494.21 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide
PubChem CID55972093
Molecular FormulaC19H14Br2N2O2S
Molecular Weight494.21 g/mol
Exact Mass491.91
IUPAC Name2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cc(Br)cs1)c1ccccc1Br
InChIInChI=1S/C19H14Br2N2O2S/c20-12-9-13(26-11-12)10-22-18(24)15-6-2-4-8-17(15)23-19(25)14-5-1-3-7-16(14)21/h1-9,11H,10H2,(H,22,24)(H,23,25)
InChIKeyFPIGETWURGWKJI-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.21
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266
2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60553703
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide (CID 55972093) is 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide is O=C(Nc1ccccc1C(=O)NCc1cc(Br)cs1)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide?
The InChIKey is FPIGETWURGWKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2O2S/c20-12-9-13(26-11-12)10-22-18(24)15-6-2-4-8-17(15)23-19(25)14-5-1-3-7-16(14)21/h1-9,11H,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide?
2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide has a molecular weight of 494.21 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 55972093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).