N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide

C14H8Cl2F3NO2 — CID 18267923

IUPACN-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8Cl2F3NO2/c15-11-6-3-9(7-12(11)16)20-13(21)8-1-4-10(5-2-8)22-14(17,18)19/h1-7H,(H,20,21)
InChIKeyYKBGSNUULKLUET-UHFFFAOYSA-N
MW350.12 g/mol
LogP5.14
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide

N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 18267923) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
PubChem CID18267923
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC NameN-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8Cl2F3NO2/c15-11-6-3-9(7-12(11)16)20-13(21)8-1-4-10(5-2-8)22-14(17,18)19/h1-7H,(H,20,21)
InChIKeyYKBGSNUULKLUET-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.12
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid
CID 155164298

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide (CID 18267923) is N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is YKBGSNUULKLUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c15-11-6-3-9(7-12(11)16)20-13(21)8-1-4-10(5-2-8)22-14(17,18)19/h1-7H,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide?
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 350.12 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 18267923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).