2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide

C15H14F4N2O2 — CID 44625152

IUPAC2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide
SMILESCC1Cc2c(c(F)cc3[nH]cc(CCNC(=O)C(F)(F)F)c23)O1
InChIInChI=1S/C15H14F4N2O2/c1-7-4-9-12-8(2-3-20-14(22)15(17,18)19)6-21-11(12)5-10(16)13(9)23-7/h5-7,21H,2-4H2,1H3,(H,20,22)
InChIKeyDMNDNXXVYMRGSK-UHFFFAOYSA-N
MW330.28 g/mol
LogP2.85
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide (PubChem CID 44625152) has the molecular formula C15H14F4N2O2 and a molecular weight of 330.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide
PubChem CID44625152
Molecular FormulaC15H14F4N2O2
Molecular Weight330.28 g/mol
Exact Mass330.10
IUPAC Name2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide
SMILESCC1Cc2c(c(F)cc3[nH]cc(CCNC(=O)C(F)(F)F)c23)O1
InChIInChI=1S/C15H14F4N2O2/c1-7-4-9-12-8(2-3-20-14(22)15(17,18)19)6-21-11(12)5-10(16)13(9)23-7/h5-7,21H,2-4H2,1H3,(H,20,22)
InChIKeyDMNDNXXVYMRGSK-UHFFFAOYSA-N
XLogP2.85
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoro-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]propanamide
CID 44626256
N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 610660
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
CID 167960853
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea
CID 167820299
2-[1-[2-(4,6-difluoro-1H-indol-3-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 167898106
3-fluoro-5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzoic acid
CID 138540664

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide (CID 44625152) is 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide is CC1Cc2c(c(F)cc3[nH]cc(CCNC(=O)C(F)(F)F)c23)O1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide?
The InChIKey is DMNDNXXVYMRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O2/c1-7-4-9-12-8(2-3-20-14(22)15(17,18)19)6-21-11(12)5-10(16)13(9)23-7/h5-7,21H,2-4H2,1H3,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide has a molecular weight of 330.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-fluoro-2-methyl-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]acetamide is sourced from PubChem (CID 44625152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).