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

C13H10BrClFNOS — CID 54942389

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10BrClFNOS/c1-17(6-10-4-8(14)7-19-10)13(18)11-3-2-9(15)5-12(11)16/h2-5,7H,6H2,1H3
InChIKeyMDEZFAAERVRFOC-UHFFFAOYSA-N
MW362.65 g/mol
LogP4.58
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide (PubChem CID 54942389) has the molecular formula C13H10BrClFNOS and a molecular weight of 362.65 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide
PubChem CID54942389
Molecular FormulaC13H10BrClFNOS
Molecular Weight362.65 g/mol
Exact Mass360.93
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10BrClFNOS/c1-17(6-10-4-8(14)7-19-10)13(18)11-3-2-9(15)5-12(11)16/h2-5,7H,6H2,1H3
InChIKeyMDEZFAAERVRFOC-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide (CID 54942389) is N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide is CN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
The InChIKey is MDEZFAAERVRFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNOS/c1-17(6-10-4-8(14)7-19-10)13(18)11-3-2-9(15)5-12(11)16/h2-5,7H,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide?
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-fluoro-N-methylbenzamide has a molecular weight of 362.65 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 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-fluoro-N-methylbenzamide is sourced from PubChem (CID 54942389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).