N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide

C16H13ClF3NO2 — CID 836677

IUPACN-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-13-9-10(17)7-8-12(13)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyMQVYZAWTLIKEDL-UHFFFAOYSA-N
MW343.73 g/mol
LogP5.01
Rot. Bonds4

About N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide

N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide (PubChem CID 836677) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide
PubChem CID836677
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-13-9-10(17)7-8-12(13)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyMQVYZAWTLIKEDL-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-ethoxybenzamide
CID 729859
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide (CID 836677) is N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
The InChIKey is MQVYZAWTLIKEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-13-9-10(17)7-8-12(13)16(18,19)20/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide?
N-[5-chloro-2-(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-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 836677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).