1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole

C17H12Cl2F3NO — CID 141206608

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole
SMILESCOc1ccc2c(c1)cc(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F3NO/c1-24-13-4-5-15-11(6-13)7-16(17(20,21)22)23(15)9-10-2-3-12(18)8-14(10)19/h2-8H,9H2,1H3
InChIKeyFEVREASLYRCDEE-UHFFFAOYSA-N
MW374.19 g/mol
LogP6.02
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole

1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole (PubChem CID 141206608) has the molecular formula C17H12Cl2F3NO and a molecular weight of 374.19 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole
PubChem CID141206608
Molecular FormulaC17H12Cl2F3NO
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole
SMILESCOc1ccc2c(c1)cc(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F3NO/c1-24-13-4-5-15-11(6-13)7-16(17(20,21)22)23(15)9-10-2-3-12(18)8-14(10)19/h2-8H,9H2,1H3
InChIKeyFEVREASLYRCDEE-UHFFFAOYSA-N
XLogP6.02
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.19
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68908072
1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole
CID 90027577
[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67244459
1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
CID 141347653
2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68907507
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244053
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 22387929
N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
CID 166624600
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazol-3-yl]prop-2-enoic acid
CID 11682309
N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43224584

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole (CID 141206608) is 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole is COc1ccc2c(c1)cc(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole?
The InChIKey is FEVREASLYRCDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3NO/c1-24-13-4-5-15-11(6-13)7-16(17(20,21)22)23(15)9-10-2-3-12(18)8-14(10)19/h2-8H,9H2,1H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole?
1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole has a molecular weight of 374.19 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole is sourced from PubChem (CID 141206608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).