N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide

C12H8BrClFNOS — CID 80979266

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
SMILESO=C(NCc1cc(Br)cs1)c1cccc(Cl)c1F
InChIInChI=1S/C12H8BrClFNOS/c13-7-4-8(18-6-7)5-16-12(17)9-2-1-3-10(14)11(9)15/h1-4,6H,5H2,(H,16,17)
InChIKeyOIXRPMNYXKHDEY-UHFFFAOYSA-N
MW348.62 g/mol
LogP4.23
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide

N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide (PubChem CID 80979266) has the molecular formula C12H8BrClFNOS and a molecular weight of 348.62 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
PubChem CID80979266
Molecular FormulaC12H8BrClFNOS
Molecular Weight348.62 g/mol
Exact Mass346.92
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
SMILESO=C(NCc1cc(Br)cs1)c1cccc(Cl)c1F
InChIInChI=1S/C12H8BrClFNOS/c13-7-4-8(18-6-7)5-16-12(17)9-2-1-3-10(14)11(9)15/h1-4,6H,5H2,(H,16,17)
InChIKeyOIXRPMNYXKHDEY-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829795
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
3-chloro-2-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115703996
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-nitrobenzamide
CID 103746388
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 55972093
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide (CID 80979266) is N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide is O=C(NCc1cc(Br)cs1)c1cccc(Cl)c1F.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide?
The InChIKey is OIXRPMNYXKHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNOS/c13-7-4-8(18-6-7)5-16-12(17)9-2-1-3-10(14)11(9)15/h1-4,6H,5H2,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide?
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide has a molecular weight of 348.62 g/mol, XLogP of 4.23, 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]-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 80979266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).