3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

C14H16Cl2F3NO — CID 56531152

IUPAC3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2F3NO/c1-13(2,3)7-20(8-14(17,18)19)12(21)9-4-5-10(15)11(16)6-9/h4-6H,7-8H2,1-3H3
InChIKeyDNVOQJYSDVTZTF-UHFFFAOYSA-N
MW342.19 g/mol
LogP5.04
Rot. Bonds3

About 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 56531152) has the molecular formula C14H16Cl2F3NO and a molecular weight of 342.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID56531152
Molecular FormulaC14H16Cl2F3NO
Molecular Weight342.19 g/mol
Exact Mass341.06
IUPAC Name3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2F3NO/c1-13(2,3)7-20(8-14(17,18)19)12(21)9-4-5-10(15)11(16)6-9/h4-6H,7-8H2,1-3H3
InChIKeyDNVOQJYSDVTZTF-UHFFFAOYSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 56531059
N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 86890747
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107492122
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531024
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531101
4-bromo-N-(2,2-dimethylpropyl)-3,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531217

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 56531152) is 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DNVOQJYSDVTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3NO/c1-13(2,3)7-20(8-14(17,18)19)12(21)9-4-5-10(15)11(16)6-9/h4-6H,7-8H2,1-3H3.
What are the key properties of 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 342.19 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 56531152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).