N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide

C25H28F3N3O2 — CID 46081758

IUPACN-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide
SMILESCCCN(CCc1c[nH]c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc12)CC1CC1
InChIInChI=1S/C25H28F3N3O2/c1-2-12-31(16-17-7-8-17)13-11-18-15-29-22-10-9-19(14-21(18)22)30-24(32)20-5-3-4-6-23(20)33-25(26,27)28/h3-6,9-10,14-15,17,29H,2,7-8,11-13,16H2,1H3,(H,30,32)
InChIKeyKHQSTCWLWKBRSG-UHFFFAOYSA-N
MW459.51 g/mol
LogP5.98
Rot. Bonds10

About N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide

N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 46081758) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide
PubChem CID46081758
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC NameN-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide
SMILESCCCN(CCc1c[nH]c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc12)CC1CC1
InChIInChI=1S/C25H28F3N3O2/c1-2-12-31(16-17-7-8-17)13-11-18-15-29-22-10-9-19(14-21(18)22)30-24(32)20-5-3-4-6-23(20)33-25(26,27)28/h3-6,9-10,14-15,17,29H,2,7-8,11-13,16H2,1H3,(H,30,32)
InChIKeyKHQSTCWLWKBRSG-UHFFFAOYSA-N
XLogP5.98
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 46081785
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide
CID 46081793
N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide
CID 46102326
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 156836225
N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 14391162
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
CID 70206950
N-[4-[2-(diethylamino)ethyl]-3-[(2-ethoxybenzoyl)amino]phenyl]-2-ethoxybenzamide
CID 54201138
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
CID 92761200

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide (CID 46081758) is N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide is CCCN(CCc1c[nH]c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc12)CC1CC1.
What is the InChIKey of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is KHQSTCWLWKBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c1-2-12-31(16-17-7-8-17)13-11-18-15-29-22-10-9-19(14-21(18)22)30-24(32)20-5-3-4-6-23(20)33-25(26,27)28/h3-6,9-10,14-15,17,29H,2,7-8,11-13,16H2,1H3,(H,30,32).
What are the key properties of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide?
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 459.51 g/mol, XLogP of 5.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46081758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).