N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide

C16H16F2N2O — CID 43672810

IUPACN-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1C
InChIInChI=1S/C16H16F2N2O/c1-10-7-14(5-6-16(10)20-11(2)21)19-9-12-3-4-13(17)8-15(12)18/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyGWILZVNVUVXLKE-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.84
Rot. Bonds4

About N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide

N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide (PubChem CID 43672810) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
PubChem CID43672810
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1C
InChIInChI=1S/C16H16F2N2O/c1-10-7-14(5-6-16(10)20-11(2)21)19-9-12-3-4-13(17)8-15(12)18/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyGWILZVNVUVXLKE-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376832
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
CID 28661893
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402
methyl 2-chloro-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 43672668
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide (CID 43672810) is N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1C.
What is the InChIKey of N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is GWILZVNVUVXLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-7-14(5-6-16(10)20-11(2)21)19-9-12-3-4-13(17)8-15(12)18/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide?
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 43672810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).