2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide

C21H22FN3O2 — CID 46414003

IUPAC2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1cc2cc(NC(=O)C(NC(=O)c3ccccc3F)C(C)C)ccc2[nH]1
InChIInChI=1S/C21H22FN3O2/c1-12(2)19(25-20(26)16-6-4-5-7-17(16)22)21(27)24-15-8-9-18-14(11-15)10-13(3)23-18/h4-12,19,23H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWVCQKBIQAJAEAR-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.01
Rot. Bonds5

About 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide

2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 46414003) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID46414003
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1cc2cc(NC(=O)C(NC(=O)c3ccccc3F)C(C)C)ccc2[nH]1
InChIInChI=1S/C21H22FN3O2/c1-12(2)19(25-20(26)16-6-4-5-7-17(16)22)21(27)24-15-8-9-18-14(11-15)10-13(3)23-18/h4-12,19,23H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWVCQKBIQAJAEAR-UHFFFAOYSA-N
XLogP4.01
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide 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-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide
CID 86929104
2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2664800
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42916532
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]butan-2-yl]benzamide
CID 31721153
N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679243
2-fluoro-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51237886
N-[(2S)-1-(4,5-dimethoxy-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 7612295
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 9400164

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide (CID 46414003) is 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide is Cc1cc2cc(NC(=O)C(NC(=O)c3ccccc3F)C(C)C)ccc2[nH]1.
What is the InChIKey of 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is WVCQKBIQAJAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-12(2)19(25-20(26)16-6-4-5-7-17(16)22)21(27)24-15-8-9-18-14(11-15)10-13(3)23-18/h4-12,19,23H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide?
2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 367.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46414003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).