2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide

C14H20FN3O2 — CID 9251739

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-3-8-16-14(20)17-13(19)10-18(2)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyPGKAWGUGVMWIIE-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.49
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide (PubChem CID 9251739) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
PubChem CID9251739
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-3-8-16-14(20)17-13(19)10-18(2)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyPGKAWGUGVMWIIE-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27083840
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 60589402
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide
CID 9039845
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide (CID 9251739) is 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
The InChIKey is PGKAWGUGVMWIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-8-16-14(20)17-13(19)10-18(2)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 9251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).