2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide

C24H26BrClFN3O2 — CID 130324726

IUPAC2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1cn(CCN(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12
InChIInChI=1S/C24H26BrClFN3O2/c1-15(2)29(14-23(32)28-12-17-5-4-6-21(26)24(17)27)9-10-30-13-20(16(3)31)19-11-18(25)7-8-22(19)30/h4-8,11,13,15H,9-10,12,14H2,1-3H3,(H,28,32)
InChIKeyAUVBWWDWKQVXNM-UHFFFAOYSA-N
MW522.85 g/mol
LogP5.43
Rot. Bonds9

About 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide

2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide (PubChem CID 130324726) has the molecular formula C24H26BrClFN3O2 and a molecular weight of 522.85 g/mol. Its IUPAC name is 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide
PubChem CID130324726
Molecular FormulaC24H26BrClFN3O2
Molecular Weight522.85 g/mol
Exact Mass521.09
IUPAC Name2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1cn(CCN(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12
InChIInChI=1S/C24H26BrClFN3O2/c1-15(2)29(14-23(32)28-12-17-5-4-6-21(26)24(17)27)9-10-30-13-20(16(3)31)19-11-18(25)7-8-22(19)30/h4-8,11,13,15H,9-10,12,14H2,1-3H3,(H,28,32)
InChIKeyAUVBWWDWKQVXNM-UHFFFAOYSA-N
XLogP5.43
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.85
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide 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

(s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CID 125181260
1-(4-benzoylpiperazin-1-yl)-2-(7-bromo-4-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 20791228
N-(2-Chloro-phenyl)-2-(3-propionyl-indol-1-yl)-acetamide
CID 955290
2-(3-acetylindol-1-yl)-N-(2-chlorophenyl)acetamide
CID 1088602
1-(4-benzoylpiperazin-1-yl)-2-(7-bromo-5-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506243
2-[5-bromo-3-(6-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630440
2-[5-bromo-3-(5-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630461
2-[5-bromo-3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630683
5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 146630701
N-benzyl-5-bromo-N-methyl-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]indole-3-carboxamide
CID 146630731
2-[5-bromo-3-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630905
2-[5-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146631214

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide (CID 130324726) is 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide is CC(=O)c1cn(CCN(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.
What is the InChIKey of 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide?
The InChIKey is AUVBWWDWKQVXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrClFN3O2/c1-15(2)29(14-23(32)28-12-17-5-4-6-21(26)24(17)27)9-10-30-13-20(16(3)31)19-11-18(25)7-8-22(19)30/h4-8,11,13,15H,9-10,12,14H2,1-3H3,(H,28,32).
What are the key properties of 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide?
2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide has a molecular weight of 522.85 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 130324726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).