N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide

C19H23FN2O2 — CID 66525538

IUPACN-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)22-18(23)13-24-17-10-4-14(5-11-17)12-21-16-8-6-15(20)7-9-16/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyOKLRCTSXBIZQHB-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.73
Rot. Bonds6

About N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide

N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide (PubChem CID 66525538) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
PubChem CID66525538
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)22-18(23)13-24-17-10-4-14(5-11-17)12-21-16-8-6-15(20)7-9-16/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyOKLRCTSXBIZQHB-UHFFFAOYSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-[4-[(1,3-benzodioxol-5-ylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66525587
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
N-tert-butyl-2-[2-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17053242

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide (CID 66525538) is N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide?
The InChIKey is OKLRCTSXBIZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(2,3)22-18(23)13-24-17-10-4-14(5-11-17)12-21-16-8-6-15(20)7-9-16/h4-11,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide has a molecular weight of 330.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 66525538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).