5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide

C15H12BrClFNOS — CID 60716870

IUPAC5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H12BrClFNOS/c16-14-7-6-13(21-14)15(20)19(9-4-5-9)8-10-11(17)2-1-3-12(10)18/h1-3,6-7,9H,4-5,8H2
InChIKeyXZHIXZYWVQYNCS-UHFFFAOYSA-N
MW388.69 g/mol
LogP5.11
Rot. Bonds4

About 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide

5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 60716870) has the molecular formula C15H12BrClFNOS and a molecular weight of 388.69 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide
PubChem CID60716870
Molecular FormulaC15H12BrClFNOS
Molecular Weight388.69 g/mol
Exact Mass386.95
IUPAC Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H12BrClFNOS/c16-14-7-6-13(21-14)15(20)19(9-4-5-9)8-10-11(17)2-1-3-12(10)18/h1-3,6-7,9H,4-5,8H2
InChIKeyXZHIXZYWVQYNCS-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide (CID 60716870) is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide is O=C(c1ccc(Br)s1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is XZHIXZYWVQYNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNOS/c16-14-7-6-13(21-14)15(20)19(9-4-5-9)8-10-11(17)2-1-3-12(10)18/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide?
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 388.69 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 60716870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).