N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide

C18H17ClF3NO — CID 7920564

IUPACN-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO/c1-3-11-7-10-15(19)14(4-2)16(11)23-17(24)12-5-8-13(9-6-12)18(20,21)22/h5-10H,3-4H2,1-2H3,(H,23,24)
InChIKeyNTPQVGQJXBWXFH-UHFFFAOYSA-N
MW355.79 g/mol
LogP5.74
Rot. Bonds4

About N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide

N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 7920564) has the molecular formula C18H17ClF3NO and a molecular weight of 355.79 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID7920564
Molecular FormulaC18H17ClF3NO
Molecular Weight355.79 g/mol
Exact Mass355.10
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO/c1-3-11-7-10-15(19)14(4-2)16(11)23-17(24)12-5-8-13(9-6-12)18(20,21)22/h5-10H,3-4H2,1-2H3,(H,23,24)
InChIKeyNTPQVGQJXBWXFH-UHFFFAOYSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.79
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26198598
N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide
CID 129201826
2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
CID 106852902
5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
CID 38908667
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
N-(2-ethyl-5-iodo-1,3-benzoxazol-4-yl)-4-(trifluoromethyl)benzamide
CID 129201787
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
N-(3-chloro-2,6-diethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7920531

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide (CID 7920564) is N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is NTPQVGQJXBWXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO/c1-3-11-7-10-15(19)14(4-2)16(11)23-17(24)12-5-8-13(9-6-12)18(20,21)22/h5-10H,3-4H2,1-2H3,(H,23,24).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide?
N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 355.79 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7920564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).