N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide

C26H27F2N3O — CID 174559567

IUPACN-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide
SMILESCC(C)(N)CN(Cc1cc(-c2ccc3c(c2)CCN3)ccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H27F2N3O/c1-26(2,29)16-31(25(32)17-3-7-22(27)8-4-17)15-21-14-18(5-9-23(21)28)19-6-10-24-20(13-19)11-12-30-24/h3-10,13-14,30H,11-12,15-16,29H2,1-2H3
InChIKeyQULXMFLEQDTYDS-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.98
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide

N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide (PubChem CID 174559567) has the molecular formula C26H27F2N3O and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide
PubChem CID174559567
Molecular FormulaC26H27F2N3O
Molecular Weight435.52 g/mol
Exact Mass435.21
IUPAC NameN-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide
SMILESCC(C)(N)CN(Cc1cc(-c2ccc3c(c2)CCN3)ccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H27F2N3O/c1-26(2,29)16-31(25(32)17-3-7-22(27)8-4-17)15-21-14-18(5-9-23(21)28)19-6-10-24-20(13-19)11-12-30-24/h3-10,13-14,30H,11-12,15-16,29H2,1-2H3
InChIKeyQULXMFLEQDTYDS-UHFFFAOYSA-N
XLogP4.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide 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

5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289622
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795
N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
N,N-bis(2-methylpropyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 10809681
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
CID 106878936
5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
CID 143690522

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide (CID 174559567) is N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide is CC(C)(N)CN(Cc1cc(-c2ccc3c(c2)CCN3)ccc1F)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide?
The InChIKey is QULXMFLEQDTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O/c1-26(2,29)16-31(25(32)17-3-7-22(27)8-4-17)15-21-14-18(5-9-23(21)28)19-6-10-24-20(13-19)11-12-30-24/h3-10,13-14,30H,11-12,15-16,29H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide?
N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide has a molecular weight of 435.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-N-[[5-(2,3-dihydro-1H-indol-5-yl)-2-fluorophenyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 174559567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).