2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide

C22H22BrFN2O3 — CID 69487790

IUPAC2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F
InChIInChI=1S/C22H22BrFN2O3/c1-12(2)25-21(27)10-16-13(3)26(22(28)14-5-7-15(23)8-6-14)19-11-18(24)20(29-4)9-17(16)19/h5-9,11-12H,10H2,1-4H3,(H,25,27)
InChIKeyKDABLXCVWVLQEG-UHFFFAOYSA-N
MW461.33 g/mol
LogP4.62
Rot. Bonds5

About 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide

2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide (PubChem CID 69487790) has the molecular formula C22H22BrFN2O3 and a molecular weight of 461.33 g/mol. Its IUPAC name is 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
PubChem CID69487790
Molecular FormulaC22H22BrFN2O3
Molecular Weight461.33 g/mol
Exact Mass460.08
IUPAC Name2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F
InChIInChI=1S/C22H22BrFN2O3/c1-12(2)25-21(27)10-16-13(3)26(22(28)14-5-7-15(23)8-6-14)19-11-18(24)20(29-4)9-17(16)19/h5-9,11-12H,10H2,1-4H3,(H,25,27)
InChIKeyKDABLXCVWVLQEG-UHFFFAOYSA-N
XLogP4.62
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide 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

propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 90827726
2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69488461
3-[[2-[1-(4-bromobenzoyl)-6-chloro-5-methoxy-2-methylindol-3-yl]acetyl]amino]butanoic acid;2-[[2-[1-(4-bromobenzoyl)-6-chloro-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 87893501
N-butan-2-yl-2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-(2-hydroxyethyl)acetamide
CID 87893493
2-[[2-[6-chloro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69485542
2-[[2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69485462
N-butan-2-yl-2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 69486050
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453950
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 18453961
N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
CID 69487191
2-[1-(4-cyanobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453572
2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487991

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide (CID 69487790) is 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide is COc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.
What is the InChIKey of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is KDABLXCVWVLQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrFN2O3/c1-12(2)25-21(27)10-16-13(3)26(22(28)14-5-7-15(23)8-6-14)19-11-18(24)20(29-4)9-17(16)19/h5-9,11-12H,10H2,1-4H3,(H,25,27).
What are the key properties of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 461.33 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 69487790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).