N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide

C17H19FN2O — CID 43426599

IUPACN-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccccc2F)c1C
InChIInChI=1S/C17H19FN2O/c1-3-17(21)20-16-10-6-9-15(12(16)2)19-11-13-7-4-5-8-14(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyRNDHYMDJMJHAAR-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide

N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide (PubChem CID 43426599) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
PubChem CID43426599
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccccc2F)c1C
InChIInChI=1S/C17H19FN2O/c1-3-17(21)20-16-10-6-9-15(12(16)2)19-11-13-7-4-5-8-14(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyRNDHYMDJMJHAAR-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
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N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
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2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
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N-(3-chloro-4-fluoro-2-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide (CID 43426599) is N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccccc2F)c1C.
What is the InChIKey of N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide?
The InChIKey is RNDHYMDJMJHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-17(21)20-16-10-6-9-15(12(16)2)19-11-13-7-4-5-8-14(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide?
N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide is sourced from PubChem (CID 43426599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).