2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H12F3N3O — CID 115686109

IUPAC2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cc[nH]c1)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-15-8(16)5-14-4-7-1-2-13-3-7/h1-3,13-14H,4-6H2,(H,15,16)
InChIKeyGNALUBWCSULEMO-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.78
Rot. Bonds5

About 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115686109) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115686109
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cc[nH]c1)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-15-8(16)5-14-4-7-1-2-13-3-7/h1-3,13-14H,4-6H2,(H,15,16)
InChIKeyGNALUBWCSULEMO-UHFFFAOYSA-N
XLogP0.78
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103619237
N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide
CID 115968377
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647375
N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60957323
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957963
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235616
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 115686109) is 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1cc[nH]c1)NCC(F)(F)F.
What is the InChIKey of 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GNALUBWCSULEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)6-15-8(16)5-14-4-7-1-2-13-3-7/h1-3,13-14H,4-6H2,(H,15,16).
What are the key properties of 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 235.21 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115686109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).