N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide

C16H13ClF3NO2 — CID 729859

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyYDXZSNHARVUYNM-UHFFFAOYSA-N
MW343.73 g/mol
LogP5.01
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide (PubChem CID 729859) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
PubChem CID729859
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyYDXZSNHARVUYNM-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.73
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 836677
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethoxy]benzamide
CID 166219619
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7930859
2-ethoxy-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782949
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 67981550
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide
CID 33086234
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide (CID 729859) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
The InChIKey is YDXZSNHARVUYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide has a molecular weight of 343.73 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).