N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide

C17H15ClF3NO2 — CID 113102845

IUPACN-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(Cl)c(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15ClF3NO2/c1-11-2-7-14(18)15(10-11)24-9-8-22-16(23)12-3-5-13(6-4-12)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyRXPVDEHKEFBNJV-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113102845) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113102845
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(Cl)c(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15ClF3NO2/c1-11-2-7-14(18)15(10-11)24-9-8-22-16(23)12-3-5-13(6-4-12)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyRXPVDEHKEFBNJV-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 142503885
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102822
N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 175009727
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide (CID 113102845) is N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide is Cc1ccc(Cl)c(OCCNC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is RXPVDEHKEFBNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c1-11-2-7-14(18)15(10-11)24-9-8-22-16(23)12-3-5-13(6-4-12)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23).
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 357.76 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113102845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).