5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide

C14H12BrF2NOS — CID 79930066

IUPAC5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C14H12BrF2NOS/c1-8-5-12(20-13(8)15)14(19)18(2)7-9-3-4-10(16)11(17)6-9/h3-6H,7H2,1-2H3
InChIKeyXVLCBOHLJDPTDC-UHFFFAOYSA-N
MW360.22 g/mol
LogP4.37
Rot. Bonds3

About 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide

5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide (PubChem CID 79930066) has the molecular formula C14H12BrF2NOS and a molecular weight of 360.22 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
PubChem CID79930066
Molecular FormulaC14H12BrF2NOS
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C14H12BrF2NOS/c1-8-5-12(20-13(8)15)14(19)18(2)7-9-3-4-10(16)11(17)6-9/h3-6H,7H2,1-2H3
InChIKeyXVLCBOHLJDPTDC-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79959540
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
4,5-dibromo-N-[(3,4-difluorophenyl)methyl]-N-ethylthiophene-2-carboxamide
CID 112725711
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464077
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
N-[(3,4-difluorophenyl)methyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55631751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide (CID 79930066) is 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)sc1Br.
What is the InChIKey of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is XVLCBOHLJDPTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NOS/c1-8-5-12(20-13(8)15)14(19)18(2)7-9-3-4-10(16)11(17)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide?
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 360.22 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79930066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).