N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H14F3N3O — CID 103725462

IUPACN-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCn1cccc1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-14-7-9(17)15-3-6-16-4-1-2-5-16/h1-2,4-5,14H,3,6-8H2,(H,15,17)
InChIKeyNFSNYTRUJQYHAU-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.76
Rot. Bonds6

About N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103725462) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103725462
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCn1cccc1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-14-7-9(17)15-3-6-16-4-1-2-5-16/h1-2,4-5,14H,3,6-8H2,(H,15,17)
InChIKeyNFSNYTRUJQYHAU-UHFFFAOYSA-N
XLogP0.76
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
1-(Trifluoroacetyl)pyrrole
CID 23352308
1-(Pentafluoropropionyl)pyrrole
CID 23352309
N-[2-(1-azepanyl)ethyl]-3-(1H-pyrrol-1-yl)propanamide
CID 45106881
N-cyclopropyl-3-pyrrol-1-ylpropanamide
CID 45106935
N-Allyl-1H-pyrrole-1-carboxamide
CID 13811349
1H-Pyrrole-1-acetamide
CID 19973177
N-(3-(1H-pyrrol-1-yl)propyl)acetamide
CID 57561805
N-(3-pyrrol-1-yl-propyl)formamide
CID 88560062
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
4-(1-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide
CID 72884349
1-(Heptafluorobutyryl)pyrrole
CID 91700514

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103725462) is N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCCn1cccc1.
What is the InChIKey of N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is NFSNYTRUJQYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8-14-7-9(17)15-3-6-16-4-1-2-5-16/h1-2,4-5,14H,3,6-8H2,(H,15,17).
What are the key properties of N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 249.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrol-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103725462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).