3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide

C17H14Cl2F3NO2 — CID 58459031

IUPAC3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(Cc2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C17H14Cl2F3NO2/c18-14-8-12(17(20,21)22)9-15(19)13(14)7-10-2-1-3-11(6-10)16(25)23-4-5-24/h1-3,6,8-9,24H,4-5,7H2,(H,23,25)
InChIKeyALCUEYKVUMBRHD-UHFFFAOYSA-N
MW392.20 g/mol
LogP4.33
Rot. Bonds5

About 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide

3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 58459031) has the molecular formula C17H14Cl2F3NO2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide
PubChem CID58459031
Molecular FormulaC17H14Cl2F3NO2
Molecular Weight392.20 g/mol
Exact Mass391.04
IUPAC Name3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(Cc2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C17H14Cl2F3NO2/c18-14-8-12(17(20,21)22)9-15(19)13(14)7-10-2-1-3-11(6-10)16(25)23-4-5-24/h1-3,6,8-9,24H,4-5,7H2,(H,23,25)
InChIKeyALCUEYKVUMBRHD-UHFFFAOYSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
CID 138647417
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59194084
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27888872
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide
CID 58103508

Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide (CID 58459031) is 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(Cc2c(Cl)cc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is ALCUEYKVUMBRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO2/c18-14-8-12(17(20,21)22)9-15(19)13(14)7-10-2-1-3-11(6-10)16(25)23-4-5-24/h1-3,6,8-9,24H,4-5,7H2,(H,23,25).
What are the key properties of 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide?
3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 392.20 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 58459031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).