2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide

C15H21F2N3O2 — CID 46620951

IUPAC2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O2/c1-4-7-18-15(22)19-14(21)9-20(3)10(2)11-5-6-12(16)13(17)8-11/h5-6,8,10H,4,7,9H2,1-3H3,(H2,18,19,21,22)
InChIKeyXVYYQHIFIGKAJQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.19
Rot. Bonds6

About 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide

2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide (PubChem CID 46620951) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
PubChem CID46620951
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O2/c1-4-7-18-15(22)19-14(21)9-20(3)10(2)11-5-6-12(16)13(17)8-11/h5-6,8,10H,4,7,9H2,1-3H3,(H2,18,19,21,22)
InChIKeyXVYYQHIFIGKAJQ-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9375772
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 46575229
N-cyclopentyl-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46527777
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60588161
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46512444
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoyl-propylamino]-N-propylacetamide
CID 94648381
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide (CID 46620951) is 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)C(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide?
The InChIKey is XVYYQHIFIGKAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-4-7-18-15(22)19-14(21)9-20(3)10(2)11-5-6-12(16)13(17)8-11/h5-6,8,10H,4,7,9H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide?
2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide has a molecular weight of 313.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 46620951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).