3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C17H14Cl2F3NO — CID 2766762

IUPAC3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2F3NO/c1-2-23(16(24)12-7-14(18)9-15(19)8-12)10-11-4-3-5-13(6-11)17(20,21)22/h3-9H,2,10H2,1H3
InChIKeyLIEYRUPKMFLYTQ-UHFFFAOYSA-N
MW376.21 g/mol
LogP5.67
Rot. Bonds4

About 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 2766762) has the molecular formula C17H14Cl2F3NO and a molecular weight of 376.21 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID2766762
Molecular FormulaC17H14Cl2F3NO
Molecular Weight376.21 g/mol
Exact Mass375.04
IUPAC Name3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2F3NO/c1-2-23(16(24)12-7-14(18)9-15(19)8-12)10-11-4-3-5-13(6-11)17(20,21)22/h3-9H,2,10H2,1H3
InChIKeyLIEYRUPKMFLYTQ-UHFFFAOYSA-N
XLogP5.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.21
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
1-N,3-N-dipropyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-dicarboxamide;hydrochloride
CID 69321298
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 2766762) is 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is LIEYRUPKMFLYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO/c1-2-23(16(24)12-7-14(18)9-15(19)8-12)10-11-4-3-5-13(6-11)17(20,21)22/h3-9H,2,10H2,1H3.
What are the key properties of 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 376.21 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 2766762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).