3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide

C14H13BrClNOS — CID 107999567

IUPAC3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)c(Br)c2)sc1C
InChIInChI=1S/C14H13BrClNOS/c1-8-5-11(19-9(8)2)7-17-14(18)10-3-4-13(16)12(15)6-10/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyOWXSXAQKSTZVPZ-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.71
Rot. Bonds3

About 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide

3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide (PubChem CID 107999567) has the molecular formula C14H13BrClNOS and a molecular weight of 358.69 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
PubChem CID107999567
Molecular FormulaC14H13BrClNOS
Molecular Weight358.69 g/mol
Exact Mass356.96
IUPAC Name3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)c(Br)c2)sc1C
InChIInChI=1S/C14H13BrClNOS/c1-8-5-11(19-9(8)2)7-17-14(18)10-3-4-13(16)12(15)6-10/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyOWXSXAQKSTZVPZ-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
3,6-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 65243704
5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107998188
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
CID 65241851
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide (CID 107999567) is 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(Cl)c(Br)c2)sc1C.
What is the InChIKey of 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The InChIKey is OWXSXAQKSTZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS/c1-8-5-11(19-9(8)2)7-17-14(18)10-3-4-13(16)12(15)6-10/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide has a molecular weight of 358.69 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 107999567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).