3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C20H24FN3O2 — CID 113119113

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(C)CCc1ccncc1)Cc1ccccc1F
InChIInChI=1S/C20H24FN3O2/c1-16(25)24(15-18-5-3-4-6-19(18)21)14-10-20(26)23(2)13-9-17-7-11-22-12-8-17/h3-8,11-12H,9-10,13-15H2,1-2H3
InChIKeyCMDKHAWNRVDYSN-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.66
Rot. Bonds8

About 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113119113) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113119113
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(C)CCc1ccncc1)Cc1ccccc1F
InChIInChI=1S/C20H24FN3O2/c1-16(25)24(15-18-5-3-4-6-19(18)21)14-10-20(26)23(2)13-9-17-7-11-22-12-8-17/h3-8,11-12H,9-10,13-15H2,1-2H3
InChIKeyCMDKHAWNRVDYSN-UHFFFAOYSA-N
XLogP2.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113164185
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493
3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113115956
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 110724799
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
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
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113119113) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CC(=O)N(CCC(=O)N(C)CCc1ccncc1)Cc1ccccc1F.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is CMDKHAWNRVDYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-16(25)24(15-18-5-3-4-6-19(18)21)14-10-20(26)23(2)13-9-17-7-11-22-12-8-17/h3-8,11-12H,9-10,13-15H2,1-2H3.
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 357.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113119113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).