2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide

C19H23FN2O — CID 18094165

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O/c1-14-7-9-16(10-8-14)12-21-19(23)15(2)22(3)13-17-5-4-6-18(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyCSIJBLJKZLZWCC-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.27
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide

2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 18094165) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID18094165
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O/c1-14-7-9-16(10-8-14)12-21-19(23)15(2)22(3)13-17-5-4-6-18(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyCSIJBLJKZLZWCC-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094062
2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 41380466
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
CID 17475859

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 18094165) is 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N(C)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is CSIJBLJKZLZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14-7-9-16(10-8-14)12-21-19(23)15(2)22(3)13-17-5-4-6-18(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 314.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 18094165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).