N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide

C19H13ClF3NOS — CID 55798665

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13ClF3NOS/c20-13-9-7-12(8-10-13)17(16-6-3-11-26-16)24-18(25)14-4-1-2-5-15(14)19(21,22)23/h1-11,17H,(H,24,25)
InChIKeyPALMOGZDHJMUNL-UHFFFAOYSA-N
MW395.83 g/mol
LogP5.94
Rot. Bonds4

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide (PubChem CID 55798665) has the molecular formula C19H13ClF3NOS and a molecular weight of 395.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
PubChem CID55798665
Molecular FormulaC19H13ClF3NOS
Molecular Weight395.83 g/mol
Exact Mass395.04
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13ClF3NOS/c20-13-9-7-12(8-10-13)17(16-6-3-11-26-16)24-18(25)14-4-1-2-5-15(14)19(21,22)23/h1-11,17H,(H,24,25)
InChIKeyPALMOGZDHJMUNL-UHFFFAOYSA-N
XLogP5.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.83
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 46572832
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide (CID 55798665) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide is O=C(NC(c1ccc(Cl)cc1)c1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is PALMOGZDHJMUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NOS/c20-13-9-7-12(8-10-13)17(16-6-3-11-26-16)24-18(25)14-4-1-2-5-15(14)19(21,22)23/h1-11,17H,(H,24,25).
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 395.83 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 55798665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).