3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide

C16H17FN2O — CID 110724799

IUPAC3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncc1)C(=O)CCc1ccccc1F
InChIInChI=1S/C16H17FN2O/c1-19(12-13-8-10-18-11-9-13)16(20)7-6-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7,12H2,1H3
InChIKeyDRLOAGYAKKMUPM-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide

3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 110724799) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID110724799
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncc1)C(=O)CCc1ccccc1F
InChIInChI=1S/C16H17FN2O/c1-19(12-13-8-10-18-11-9-13)16(20)7-6-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7,12H2,1H3
InChIKeyDRLOAGYAKKMUPM-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113119113
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86827651
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 94158892
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113164185
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide (CID 110724799) is 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide is CN(Cc1ccncc1)C(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is DRLOAGYAKKMUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(12-13-8-10-18-11-9-13)16(20)7-6-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7,12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 272.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 110724799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).