N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H15BrF3NOS — CID 115598109

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1sccc1Br)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H15BrF3NOS/c14-10-5-6-20-11(10)7-18-12(19)8-3-1-2-4-9(8)13(15,16)17/h5-6,8-9H,1-4,7H2,(H,18,19)
InChIKeyHNNYOWDLQMPQEF-UHFFFAOYSA-N
MW370.23 g/mol
LogP4.50
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115598109) has the molecular formula C13H15BrF3NOS and a molecular weight of 370.23 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115598109
Molecular FormulaC13H15BrF3NOS
Molecular Weight370.23 g/mol
Exact Mass369.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1sccc1Br)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H15BrF3NOS/c14-10-5-6-20-11(10)7-18-12(19)8-3-1-2-4-9(8)13(15,16)17/h5-6,8-9H,1-4,7H2,(H,18,19)
InChIKeyHNNYOWDLQMPQEF-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide 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

N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583720
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 78985906
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 75415388
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006
N-[(3-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104917199
3-amino-N-[(3-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119759833
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
3-amino-N-[(3-bromothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119759831
N-(3-bromo-2,2-dimethylpropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622805
trans-(1S,2S)-N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97085312
N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82916985

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115598109) is N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1sccc1Br)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HNNYOWDLQMPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NOS/c14-10-5-6-20-11(10)7-18-12(19)8-3-1-2-4-9(8)13(15,16)17/h5-6,8-9H,1-4,7H2,(H,18,19).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 370.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115598109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).