N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide

C17H19FN2O — CID 63645883

IUPACN-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(C)c(F)c2)ccc1C
InChIInChI=1S/C17H19FN2O/c1-11-4-6-14(8-16(11)18)10-19-15-7-5-12(2)17(9-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyCIYVMIDLYSLXIA-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.01
Rot. Bonds4

About N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide

N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide (PubChem CID 63645883) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
PubChem CID63645883
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(C)c(F)c2)ccc1C
InChIInChI=1S/C17H19FN2O/c1-11-4-6-14(8-16(11)18)10-19-15-7-5-12(2)17(9-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyCIYVMIDLYSLXIA-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide (CID 63645883) is N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NCc2ccc(C)c(F)c2)ccc1C.
What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is CIYVMIDLYSLXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-4-6-14(8-16(11)18)10-19-15-7-5-12(2)17(9-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 63645883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).