[4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate

C24H24ClF2NO5 — CID 69488376

IUPAC[4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate
SMILESCOc1c(Cl)cc2c(c(OC(C)=O)c(C)n2C(=O)c2ccc(OC(F)F)cc2)c1C(C)(C)C
InChIInChI=1S/C24H24ClF2NO5/c1-12-20(32-13(2)29)18-17(11-16(25)21(31-6)19(18)24(3,4)5)28(12)22(30)14-7-9-15(10-8-14)33-23(26)27/h7-11,23H,1-6H3
InChIKeyKTIRCZPBFJRKCQ-UHFFFAOYSA-N
MW479.91 g/mol
LogP6.12
Rot. Bonds5

About [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate

[4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate (PubChem CID 69488376) has the molecular formula C24H24ClF2NO5 and a molecular weight of 479.91 g/mol. Its IUPAC name is [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate.

Molecular Properties

Compound Name[4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate
PubChem CID69488376
Molecular FormulaC24H24ClF2NO5
Molecular Weight479.91 g/mol
Exact Mass479.13
IUPAC Name[4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate
SMILESCOc1c(Cl)cc2c(c(OC(C)=O)c(C)n2C(=O)c2ccc(OC(F)F)cc2)c1C(C)(C)C
InChIInChI=1S/C24H24ClF2NO5/c1-12-20(32-13(2)29)18-17(11-16(25)21(31-6)19(18)24(3,4)5)28(12)22(30)14-7-9-15(10-8-14)33-23(26)27/h7-11,23H,1-6H3
InChIKeyKTIRCZPBFJRKCQ-UHFFFAOYSA-N
XLogP6.12
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.91
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453578
potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
CID 173442022
[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
CID 173186496
2-[1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetamide
CID 69485733
2-cyclobutyl-2-[1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 69488189
2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69485337
[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
CID 69487470
[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate
CID 11474366
[7-[(2R)-butan-2-yl]-4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
CID 69488256
[4-butyl-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
CID 69485119
2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69488461
N-butan-2-yl-2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69487943

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate?
The IUPAC name of [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate (CID 69488376) is [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate.
What is the SMILES notation for [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate?
The canonical SMILES for [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate is COc1c(Cl)cc2c(c(OC(C)=O)c(C)n2C(=O)c2ccc(OC(F)F)cc2)c1C(C)(C)C.
What is the InChIKey of [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate?
The InChIKey is KTIRCZPBFJRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2NO5/c1-12-20(32-13(2)29)18-17(11-16(25)21(31-6)19(18)24(3,4)5)28(12)22(30)14-7-9-15(10-8-14)33-23(26)27/h7-11,23H,1-6H3.
What are the key properties of [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate?
[4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate has a molecular weight of 479.91 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl] acetate is sourced from PubChem (CID 69488376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).