2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide

C15H13BrFNOS — CID 114559566

IUPAC2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1c(F)cccc1Br)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H13BrFNOS/c16-12-2-1-3-13(17)14(12)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyASCBXIDBHGHTPB-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.45
Rot. Bonds4

About 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide

2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 114559566) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID114559566
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1c(F)cccc1Br)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H13BrFNOS/c16-12-2-1-3-13(17)14(12)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyASCBXIDBHGHTPB-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 62036847
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
CID 114559684
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide (CID 114559566) is 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide is O=C(c1c(F)cccc1Br)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is ASCBXIDBHGHTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-12-2-1-3-13(17)14(12)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,6-7,9,11H,4-5,8H2.
What are the key properties of 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide?
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 354.24 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 114559566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).