N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide

C13H10BrCl2NOS — CID 27839407

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10BrCl2NOS/c1-17(7-9-3-5-12(14)19-9)13(18)10-6-8(15)2-4-11(10)16/h2-6H,7H2,1H3
InChIKeyPWRSEKDYPFLWME-UHFFFAOYSA-N
MW379.11 g/mol
LogP5.09
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide

N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide (PubChem CID 27839407) has the molecular formula C13H10BrCl2NOS and a molecular weight of 379.11 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
PubChem CID27839407
Molecular FormulaC13H10BrCl2NOS
Molecular Weight379.11 g/mol
Exact Mass376.90
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10BrCl2NOS/c1-17(7-9-3-5-12(14)19-9)13(18)10-6-8(15)2-4-11(10)16/h2-6H,7H2,1H3
InChIKeyPWRSEKDYPFLWME-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.11
LogP ≤ 55.09
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
N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
CID 55559287
N-[(5-bromothiophen-2-yl)methyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 55360454
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 16596863
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 9108735
N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 55360576
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
methyl 5-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 47143664
(3S)-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 8530328

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide (CID 27839407) is N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide is CN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide?
The InChIKey is PWRSEKDYPFLWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NOS/c1-17(7-9-3-5-12(14)19-9)13(18)10-6-8(15)2-4-11(10)16/h2-6H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide?
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide has a molecular weight of 379.11 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 27839407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).