N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide

C16H17FN2O2 — CID 107168696

IUPACN-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-13(8-14(10)17)21-9-16(20)19-12-5-3-11(2)15(18)7-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyUENOIGRBUHVEHH-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.04
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide

N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide (PubChem CID 107168696) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
PubChem CID107168696
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-13(8-14(10)17)21-9-16(20)19-12-5-3-11(2)15(18)7-12/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyUENOIGRBUHVEHH-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 43554704
N-(3-amino-4-methylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867332
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
CID 7667243
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884614
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842786
N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9325956

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide (CID 107168696) is N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(C)c(F)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
The InChIKey is UENOIGRBUHVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-4-6-13(8-14(10)17)21-9-16(20)19-12-5-3-11(2)15(18)7-12/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide has a molecular weight of 288.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide is sourced from PubChem (CID 107168696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).