1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone

C19H15Cl2F2NO2 — CID 146494034

IUPAC1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(Cn2ccc3cc(OC(F)F)cc(C)c32)c1Cl
InChIInChI=1S/C19H15Cl2F2NO2/c1-10-7-13(26-19(22)23)8-12-5-6-24(18(10)12)9-15-16(20)4-3-14(11(2)25)17(15)21/h3-8,19H,9H2,1-2H3
InChIKeyUFPJFYLGPDHESJ-UHFFFAOYSA-N
MW398.24 g/mol
LogP6.11
Rot. Bonds5

About 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone

1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone (PubChem CID 146494034) has the molecular formula C19H15Cl2F2NO2 and a molecular weight of 398.24 g/mol. Its IUPAC name is 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone
PubChem CID146494034
Molecular FormulaC19H15Cl2F2NO2
Molecular Weight398.24 g/mol
Exact Mass397.04
IUPAC Name1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(Cn2ccc3cc(OC(F)F)cc(C)c32)c1Cl
InChIInChI=1S/C19H15Cl2F2NO2/c1-10-7-13(26-19(22)23)8-12-5-6-24(18(10)12)9-15-16(20)4-3-14(11(2)25)17(15)21/h3-8,19H,9H2,1-2H3
InChIKeyUFPJFYLGPDHESJ-UHFFFAOYSA-N
XLogP6.11
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.24
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 160979594
[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 160979593
2-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]azetidin-3-yl]acetic acid
CID 163759104
1-[2-chloro-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006355
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
CID 121228158
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
methyl 2-[1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]ethenyl]piperidin-4-yl]acetate
CID 145206537
3-acetyl-6-chloro-2-(difluoromethoxy)benzaldehyde
CID 171006600
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
CID 131616132
1-[1-[1-[2-chloro-3-[(5-cyclopropyl-7-fluoroindol-1-yl)methyl]-4-methylphenyl]ethenyl]piperidin-4-yl]propan-2-one
CID 163869218
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone (CID 146494034) is 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone is CC(=O)c1ccc(Cl)c(Cn2ccc3cc(OC(F)F)cc(C)c32)c1Cl.
What is the InChIKey of 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone?
The InChIKey is UFPJFYLGPDHESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F2NO2/c1-10-7-13(26-19(22)23)8-12-5-6-24(18(10)12)9-15-16(20)4-3-14(11(2)25)17(15)21/h3-8,19H,9H2,1-2H3.
What are the key properties of 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone?
1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone has a molecular weight of 398.24 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 146494034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).