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

C16H12Cl2F3NO — CID 175698312

IUPAC2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(Cl)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H12Cl2F3NO/c1-9-2-7-12(17)13(14(9)18)15(23)22-8-10-3-5-11(6-4-10)16(19,20)21/h2-7H,8H2,1H3,(H,22,23)
InChIKeyQBXKEPHESJENAD-UHFFFAOYSA-N
MW362.18 g/mol
LogP5.25
Rot. Bonds3

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

2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 175698312) has the molecular formula C16H12Cl2F3NO and a molecular weight of 362.18 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID175698312
Molecular FormulaC16H12Cl2F3NO
Molecular Weight362.18 g/mol
Exact Mass361.02
IUPAC Name2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(Cl)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H12Cl2F3NO/c1-9-2-7-12(17)13(14(9)18)15(23)22-8-10-3-5-11(6-4-10)16(19,20)21/h2-7H,8H2,1H3,(H,22,23)
InChIKeyQBXKEPHESJENAD-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.18
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
N-[(3-chloro-4-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 106816801

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 175698312) is 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccc(Cl)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is QBXKEPHESJENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO/c1-9-2-7-12(17)13(14(9)18)15(23)22-8-10-3-5-11(6-4-10)16(19,20)21/h2-7H,8H2,1H3,(H,22,23).
What are the key properties of 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 362.18 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 175698312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).