N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide

C18H21FN2O — CID 60525035

IUPACN-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O/c1-13-8-9-14(2)17(10-13)21(3)12-18(22)20-11-15-6-4-5-7-16(15)19/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyDAOSGZZEAPGZOC-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide

N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide (PubChem CID 60525035) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide
PubChem CID60525035
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O/c1-13-8-9-14(2)17(10-13)21(3)12-18(22)20-11-15-6-4-5-7-16(15)19/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyDAOSGZZEAPGZOC-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47294418
N-(3,4-difluorophenyl)-2-[[2-(N,2,5-trimethylanilino)acetyl]amino]acetamide
CID 55863997
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8695782
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
N'-(2-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946335
2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 51225001
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 26887091

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide (CID 60525035) is N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide is Cc1ccc(C)c(N(C)CC(=O)NCc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide?
The InChIKey is DAOSGZZEAPGZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13-8-9-14(2)17(10-13)21(3)12-18(22)20-11-15-6-4-5-7-16(15)19/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide?
N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide is sourced from PubChem (CID 60525035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).