N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide

C16H20FN3O2 — CID 171676565

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(C)(C)C
InChIInChI=1S/C16H20FN3O2/c1-16(2,3)13(15(22)18-4)20-14(21)12-8-9-10(17)6-5-7-11(9)19-12/h5-8,13,19H,1-4H3,(H,18,22)(H,20,21)/t13-/m1/s1
InChIKeyBOJURNCKZWVUNJ-CYBMUJFWSA-N
MW305.35 g/mol
LogP2.20
Rot. Bonds3

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 171676565) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID171676565
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(C)(C)C
InChIInChI=1S/C16H20FN3O2/c1-16(2,3)13(15(22)18-4)20-14(21)12-8-9-10(17)6-5-7-11(9)19-12/h5-8,13,19H,1-4H3,(H,18,22)(H,20,21)/t13-/m1/s1
InChIKeyBOJURNCKZWVUNJ-CYBMUJFWSA-N
XLogP2.20
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide 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

methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
6-chloro-N-[(2S)-1-[(1S,4S)-5-(4-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072536
N-[(2S)-1-[(2S,4S)-2-[(2,2-dimethyl-4-oxohex-5-en-3-yl)carbamoyl]-3,3,4-trimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 166157111
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
CID 92582134
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
CID 111451520
(2S)-2-[[2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695269
4-hydroxy-N-methyl-1H-indole-2-carboxamide
CID 130007884
(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)amino]-3-(4-iodophenyl)propanoic acid
CID 164610657

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide (CID 171676565) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is BOJURNCKZWVUNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-16(2,3)13(15(22)18-4)20-14(21)12-8-9-10(17)6-5-7-11(9)19-12/h5-8,13,19H,1-4H3,(H,18,22)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 171676565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).