N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide

C27H27F3N4O — CID 87456412

IUPACN-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide
SMILESCCN(CC)CCN(C(=O)C(F)(F)F)c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C27H27F3N4O/c1-3-33(4-2)13-14-34(26(35)27(28,29)30)23-11-9-19(10-12-23)21-15-22(18-31-17-21)25-16-20-7-5-6-8-24(20)32-25/h5-12,15-18,32H,3-4,13-14H2,1-2H3
InChIKeyHBSHSKUTKNRVMZ-UHFFFAOYSA-N
MW480.53 g/mol
LogP6.13
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide

N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide (PubChem CID 87456412) has the molecular formula C27H27F3N4O and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide
PubChem CID87456412
Molecular FormulaC27H27F3N4O
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC NameN-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide
SMILESCCN(CC)CCN(C(=O)C(F)(F)F)c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C27H27F3N4O/c1-3-33(4-2)13-14-34(26(35)27(28,29)30)23-11-9-19(10-12-23)21-15-22(18-31-17-21)25-16-20-7-5-6-8-24(20)32-25/h5-12,15-18,32H,3-4,13-14H2,1-2H3
InChIKeyHBSHSKUTKNRVMZ-UHFFFAOYSA-N
XLogP6.13
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide with MolForge

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Related Compounds

2-(5-methyl-3-pyridinyl)-1H-indole
CID 147492760
N,N-diethyl-N'-(3-fluorophenyl)-N'-[6-(1H-indol-2-yl)pyrazin-2-yl]ethane-1,2-diamine
CID 141193042
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
3-(1H-indol-2-yl)-5-(4-methylphenyl)benzoic acid
CID 68762875
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635
3-(1H-indol-2-yl)acridine
CID 151493055
4-(1H-indol-2-yl)benzenethiol;methanol
CID 160504693
2-pyridin-3-yl-1H-indole
CID 606677
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
2-pyridin-3-yl-1H-indole;hydrochloride
CID 159150480
2-(3,4-diethoxyphenyl)-1H-indole;propan-2-one
CID 70629794
4-(1H-indol-2-yl)phenol
CID 11287260

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide (CID 87456412) is N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide is CCN(CC)CCN(C(=O)C(F)(F)F)c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide?
The InChIKey is HBSHSKUTKNRVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O/c1-3-33(4-2)13-14-34(26(35)27(28,29)30)23-11-9-19(10-12-23)21-15-22(18-31-17-21)25-16-20-7-5-6-8-24(20)32-25/h5-12,15-18,32H,3-4,13-14H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide?
N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide has a molecular weight of 480.53 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,2,2-trifluoro-N-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 87456412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).