3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide

C27H25F3N2O3 — CID 59804507

IUPAC3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESCC(C)(C)OCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C27H25F3N2O3/c1-26(2,3)34-17-18-8-4-5-9-21(18)23-16-32(24-11-7-6-10-22(23)24)25(33)31-19-12-14-20(15-13-19)35-27(28,29)30/h4-16H,17H2,1-3H3,(H,31,33)
InChIKeyBVUFNLUQDBAWIX-UHFFFAOYSA-N
MW482.50 g/mol
LogP7.60
Rot. Bonds5

About 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide

3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (PubChem CID 59804507) has the molecular formula C27H25F3N2O3 and a molecular weight of 482.50 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
PubChem CID59804507
Molecular FormulaC27H25F3N2O3
Molecular Weight482.50 g/mol
Exact Mass482.18
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESCC(C)(C)OCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C27H25F3N2O3/c1-26(2,3)34-17-18-8-4-5-9-21(18)23-16-32(24-11-7-6-10-22(23)24)25(33)31-19-12-14-20(15-13-19)35-27(28,29)30/h4-16H,17H2,1-3H3,(H,31,33)
InChIKeyBVUFNLUQDBAWIX-UHFFFAOYSA-N
XLogP7.60
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide with MolForge

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Related Compounds

3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804527
3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 25109396
N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59804529
N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(methoxymethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123848222
3-(2-tert-butylphenyl)-N-(4-methylphenyl)indole-1-carboxamide
CID 59804519
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 57262773
2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 4845915
1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11525482
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30559584
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (CID 59804507) is 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is CC(C)(C)OCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The InChIKey is BVUFNLUQDBAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O3/c1-26(2,3)34-17-18-8-4-5-9-21(18)23-16-32(24-11-7-6-10-22(23)24)25(33)31-19-12-14-20(15-13-19)35-27(28,29)30/h4-16H,17H2,1-3H3,(H,31,33).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide has a molecular weight of 482.50 g/mol, XLogP of 7.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59804507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).