N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide

C17H19FN2O2 — CID 113092503

IUPACN-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(F)ccc2N(C)C)cc1
InChIInChI=1S/C17H19FN2O2/c1-12-4-7-14(8-5-12)22-11-17(21)19-15-10-13(18)6-9-16(15)20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyQRDHVSVROYKESP-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide

N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113092503) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide
PubChem CID113092503
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(F)ccc2N(C)C)cc1
InChIInChI=1S/C17H19FN2O2/c1-12-4-7-14(8-5-12)22-11-17(21)19-15-10-13(18)6-9-16(15)20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyQRDHVSVROYKESP-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 39130421
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 17414348
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-(4-chlorophenoxy)acetamide
CID 113093181
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
N-[2-[acetyl(methyl)amino]phenyl]-2-(4-methylphenoxy)acetamide
CID 113093784
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide (CID 113092503) is N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(F)ccc2N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is QRDHVSVROYKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-4-7-14(8-5-12)22-11-17(21)19-15-10-13(18)6-9-16(15)20(2)3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide?
N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 302.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-fluorophenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113092503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).