5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide

C14H12ClF3N2OS — CID 166373289

IUPAC5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H12ClF3N2OS/c15-11-3-1-8(5-10(11)14(16,17)18)6-20-7-9-2-4-12(22-9)13(19)21/h1-5,20H,6-7H2,(H2,19,21)
InChIKeyTUOWFMISJPLLDH-UHFFFAOYSA-N
MW348.78 g/mol
LogP3.81
Rot. Bonds5

About 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide

5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide (PubChem CID 166373289) has the molecular formula C14H12ClF3N2OS and a molecular weight of 348.78 g/mol. Its IUPAC name is 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide
PubChem CID166373289
Molecular FormulaC14H12ClF3N2OS
Molecular Weight348.78 g/mol
Exact Mass348.03
IUPAC Name5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H12ClF3N2OS/c15-11-3-1-8(5-10(11)14(16,17)18)6-20-7-9-2-4-12(22-9)13(19)21/h1-5,20H,6-7H2,(H2,19,21)
InChIKeyTUOWFMISJPLLDH-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
CID 143080621
5-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103232638
2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide
CID 70925766
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,2-dimethylpropyl)urea
CID 147285009
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437022
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166228141
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
CID 89363824
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 123282464
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxopropanoic acid
CID 56616467

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide (CID 166373289) is 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide is NC(=O)c1ccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)s1.
What is the InChIKey of 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide?
The InChIKey is TUOWFMISJPLLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2OS/c15-11-3-1-8(5-10(11)14(16,17)18)6-20-7-9-2-4-12(22-9)13(19)21/h1-5,20H,6-7H2,(H2,19,21).
What are the key properties of 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide?
5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide has a molecular weight of 348.78 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 166373289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).