N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide

C14H15F3N4O2 — CID 14391162

IUPACN-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1c[nH]c2ccc(NC(N)=O)cc12)C(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N4O2/c1-21(12(22)14(15,16)17)5-4-8-7-19-11-3-2-9(6-10(8)11)20-13(18)23/h2-3,6-7,19H,4-5H2,1H3,(H3,18,20,23)
InChIKeyYELHXGXTUXMFFX-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.22
Rot. Bonds4

About N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 14391162) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID14391162
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC NameN-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1c[nH]c2ccc(NC(N)=O)cc12)C(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N4O2/c1-21(12(22)14(15,16)17)5-4-8-7-19-11-3-2-9(6-10(8)11)20-13(18)23/h2-3,6-7,19H,4-5H2,1H3,(H3,18,20,23)
InChIKeyYELHXGXTUXMFFX-UHFFFAOYSA-N
XLogP2.22
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
N-[3-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]-1H-indol-5-yl]-4-fluorobenzamide
CID 23290508
4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
CID 92761200
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 46081785
3-[3-(cyanomethyl)-1H-indol-5-yl]-1,1-dimethylurea
CID 70396619
2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide
CID 102470809
methyl 2-[5-(3,3-dimethylbutanoylamino)-1H-indol-3-yl]acetate
CID 129128632
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
CID 12803112
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-prop-1-enyl]acetamide
CID 73294065

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 14391162) is N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide is CN(CCc1c[nH]c2ccc(NC(N)=O)cc12)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is YELHXGXTUXMFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-21(12(22)14(15,16)17)5-4-8-7-19-11-3-2-9(6-10(8)11)20-13(18)23/h2-3,6-7,19H,4-5H2,1H3,(H3,18,20,23).
What are the key properties of N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 328.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 14391162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).