N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide

C19H21ClFNO2 — CID 39952297

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c1-19(2,3)13-7-9-14(10-8-13)24-12-11-22-18(23)17-15(20)5-4-6-16(17)21/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyMUZYPYJXJKOZJP-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.59
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide (PubChem CID 39952297) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
PubChem CID39952297
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c1-19(2,3)13-7-9-14(10-8-13)24-12-11-22-18(23)17-15(20)5-4-6-16(17)21/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyMUZYPYJXJKOZJP-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.59
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

2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 113090462
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-chloro-6-fluorobenzamide
CID 30350377
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
CID 108575170

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide (CID 39952297) is N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide is CC(C)(C)c1ccc(OCCNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is MUZYPYJXJKOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-19(2,3)13-7-9-14(10-8-13)24-12-11-22-18(23)17-15(20)5-4-6-16(17)21/h4-10H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 349.83 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 39952297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).