N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide

C16H17FN2O2 — CID 60928382

IUPACN-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
SMILESCOc1ccc(CNc2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-11(20)19-16-9-13(5-8-15(16)17)18-10-12-3-6-14(21-2)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyDXONAGUMBUORHT-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.40
Rot. Bonds5

About N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide

N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide (PubChem CID 60928382) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
PubChem CID60928382
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
SMILESCOc1ccc(CNc2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-11(20)19-16-9-13(5-8-15(16)17)18-10-12-3-6-14(21-2)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyDXONAGUMBUORHT-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide (CID 60928382) is N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide is COc1ccc(CNc2ccc(F)c(NC(C)=O)c2)cc1.
What is the InChIKey of N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide?
The InChIKey is DXONAGUMBUORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(20)19-16-9-13(5-8-15(16)17)18-10-12-3-6-14(21-2)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide?
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide has a molecular weight of 288.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 60928382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).