3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide

C17H19FN2O — CID 109019162

IUPAC3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCNc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-13-6-2-3-7-14(13)12-20-17(21)10-11-19-16-9-5-4-8-15(16)18/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyCKNWRZUWXMVBMG-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.25
Rot. Bonds6

About 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide

3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 109019162) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID109019162
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCNc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-13-6-2-3-7-14(13)12-20-17(21)10-11-19-16-9-5-4-8-15(16)18/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyCKNWRZUWXMVBMG-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
CID 9489077
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
2-(2,4-difluoroanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 108996706
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019185
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 109019162) is 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCNc1ccccc1F.
What is the InChIKey of 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is CKNWRZUWXMVBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13-6-2-3-7-14(13)12-20-17(21)10-11-19-16-9-5-4-8-15(16)18/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide?
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).