N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide

C14H13BrClNOS — CID 82883457

IUPACN-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H13BrClNOS/c1-9-3-4-11(16)6-12(9)14(18)17(2)7-10-5-13(15)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyIEGSTQMXBWATCE-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.74
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide (PubChem CID 82883457) has the molecular formula C14H13BrClNOS and a molecular weight of 358.69 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
PubChem CID82883457
Molecular FormulaC14H13BrClNOS
Molecular Weight358.69 g/mol
Exact Mass356.96
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H13BrClNOS/c1-9-3-4-11(16)6-12(9)14(18)17(2)7-10-5-13(15)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyIEGSTQMXBWATCE-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-5-sulfanylbenzamide
CID 107025971
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide (CID 82883457) is N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide is Cc1ccc(Cl)cc1C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide?
The InChIKey is IEGSTQMXBWATCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS/c1-9-3-4-11(16)6-12(9)14(18)17(2)7-10-5-13(15)19-8-10/h3-6,8H,7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide has a molecular weight of 358.69 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide is sourced from PubChem (CID 82883457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).