N-(4-bromophenyl)-3-thiophen-2-ylbenzamide

C17H12BrNOS — CID 4862004

IUPACN-(4-bromophenyl)-3-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C17H12BrNOS/c18-14-6-8-15(9-7-14)19-17(20)13-4-1-3-12(11-13)16-5-2-10-21-16/h1-11H,(H,19,20)
InChIKeyDKROMIPMGQLLOW-UHFFFAOYSA-N
MW358.26 g/mol
LogP5.43
Rot. Bonds3

About N-(4-bromophenyl)-3-thiophen-2-ylbenzamide

N-(4-bromophenyl)-3-thiophen-2-ylbenzamide (PubChem CID 4862004) has the molecular formula C17H12BrNOS and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-thiophen-2-ylbenzamide
PubChem CID4862004
Molecular FormulaC17H12BrNOS
Molecular Weight358.26 g/mol
Exact Mass356.98
IUPAC NameN-(4-bromophenyl)-3-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C17H12BrNOS/c18-14-6-8-15(9-7-14)19-17(20)13-4-1-3-12(11-13)16-5-2-10-21-16/h1-11H,(H,19,20)
InChIKeyDKROMIPMGQLLOW-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.26
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 21238494
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
CID 4862006
5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
CID 141273560
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde
CID 175780722
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-thiophen-2-ylbenzamide?
The IUPAC name of N-(4-bromophenyl)-3-thiophen-2-ylbenzamide (CID 4862004) is N-(4-bromophenyl)-3-thiophen-2-ylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-thiophen-2-ylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-3-thiophen-2-ylbenzamide is O=C(Nc1ccc(Br)cc1)c1cccc(-c2cccs2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-thiophen-2-ylbenzamide?
The InChIKey is DKROMIPMGQLLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNOS/c18-14-6-8-15(9-7-14)19-17(20)13-4-1-3-12(11-13)16-5-2-10-21-16/h1-11H,(H,19,20).
What are the key properties of N-(4-bromophenyl)-3-thiophen-2-ylbenzamide?
N-(4-bromophenyl)-3-thiophen-2-ylbenzamide has a molecular weight of 358.26 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-thiophen-2-ylbenzamide is sourced from PubChem (CID 4862004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).