N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide

C17H19FN2O — CID 43672518

IUPACN-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19FN2O/c1-11-4-5-14(12(2)8-11)10-19-17-9-15(20-13(3)21)6-7-16(17)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyNPTWWYMSNUIJKX-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.01
Rot. Bonds4

About N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide

N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide (PubChem CID 43672518) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
PubChem CID43672518
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19FN2O/c1-11-4-5-14(12(2)8-11)10-19-17-9-15(20-13(3)21)6-7-16(17)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyNPTWWYMSNUIJKX-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-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 115868166
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 134019498
N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067725
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 60551809
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide (CID 43672518) is N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2ccc(C)cc2C)c1.
What is the InChIKey of N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide?
The InChIKey is NPTWWYMSNUIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-4-5-14(12(2)8-11)10-19-17-9-15(20-13(3)21)6-7-16(17)18/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide?
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]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-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 43672518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).