N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide

C13H11BrClNOS — CID 103777410

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C13H11BrClNOS/c1-8-4-10(15)2-3-12(8)13(17)16-6-11-5-9(14)7-18-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyCCXDSNIGIHOMEB-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.40
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide

N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide (PubChem CID 103777410) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
PubChem CID103777410
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C13H11BrClNOS/c1-8-4-10(15)2-3-12(8)13(17)16-6-11-5-9(14)7-18-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyCCXDSNIGIHOMEB-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.66
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829795
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
4-[(4-bromothiophen-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114244409
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
N-[(4-bromothiophen-2-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60794991
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide (CID 103777410) is N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide?
The InChIKey is CCXDSNIGIHOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c1-8-4-10(15)2-3-12(8)13(17)16-6-11-5-9(14)7-18-11/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide?
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide has a molecular weight of 344.66 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide is sourced from PubChem (CID 103777410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).