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

C17H19FN2O — CID 109019541

IUPAC3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O/c1-13-4-2-5-14(10-13)12-20-17(21)8-9-19-16-7-3-6-15(18)11-16/h2-7,10-11,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyCTMMMDGPHDOKBN-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.25
Rot. Bonds6

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

3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 109019541) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID109019541
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O/c1-13-4-2-5-14(10-13)12-20-17(21)8-9-19-16-7-3-6-15(18)11-16/h2-7,10-11,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyCTMMMDGPHDOKBN-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

3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019503
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide
CID 109021434

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 109019541) is 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCNc2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is CTMMMDGPHDOKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13-4-2-5-14(10-13)12-20-17(21)8-9-19-16-7-3-6-15(18)11-16/h2-7,10-11,19H,8-9,12H2,1H3,(H,20,21).
What are the key properties of 3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(3-fluoroanilino)-N-[(3-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-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).