N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide

C14H13BrFNOS — CID 112695551

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide
SMILESCc1cc(F)cc(C(=O)N(C)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrFNOS/c1-9-3-10(5-12(16)4-9)14(18)17(2)7-13-6-11(15)8-19-13/h3-6,8H,7H2,1-2H3
InChIKeyQDWJVFXPNWNSFA-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.23
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide

N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide (PubChem CID 112695551) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide
PubChem CID112695551
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide
SMILESCc1cc(F)cc(C(=O)N(C)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrFNOS/c1-9-3-10(5-12(16)4-9)14(18)17(2)7-13-6-11(15)8-19-13/h3-6,8H,7H2,1-2H3
InChIKeyQDWJVFXPNWNSFA-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
3,5-diacetamido-N-[(4-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 55843736
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 47222468
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47288271
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
4-N-[(4-bromothiophen-2-yl)methyl]-1-N-tert-butyl-4-N-methylbenzene-1,4-dicarboxamide
CID 48858058
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide (CID 112695551) is N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide is Cc1cc(F)cc(C(=O)N(C)Cc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide?
The InChIKey is QDWJVFXPNWNSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-9-3-10(5-12(16)4-9)14(18)17(2)7-13-6-11(15)8-19-13/h3-6,8H,7H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide?
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide has a molecular weight of 342.23 g/mol, XLogP of 4.23, 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]-3-fluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 112695551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).