N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide

C17H19FN2O — CID 43433505

IUPACN-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O/c1-13(21)20(2)12-14-6-5-8-16(10-14)19-11-15-7-3-4-9-17(15)18/h3-10,19H,11-12H2,1-2H3
InChIKeyCMSWOYRDVPVUEX-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.42
Rot. Bonds5

About N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide

N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide (PubChem CID 43433505) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
PubChem CID43433505
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O/c1-13(21)20(2)12-14-6-5-8-16(10-14)19-11-15-7-3-4-9-17(15)18/h3-10,19H,11-12H2,1-2H3
InChIKeyCMSWOYRDVPVUEX-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
CID 62950211
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide
CID 110881852
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43786918
1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913980
N-methyl-N-[[3-(pyrazin-2-ylmethylamino)phenyl]methyl]acetamide
CID 62762354
[3-[(2-fluorophenyl)methylamino]phenyl]-phenylmethanone
CID 110823801
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide (CID 43433505) is N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(NCc2ccccc2F)c1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
The InChIKey is CMSWOYRDVPVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13(21)20(2)12-14-6-5-8-16(10-14)19-11-15-7-3-4-9-17(15)18/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide has a molecular weight of 286.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 43433505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).