2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide

C21H26ClFN2O2 — CID 73230510

IUPAC2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide
SMILESCC(C)(C)NC(=O)c1c(Cl)cccc1CC(O)C(N)Cc1ccccc1F
InChIInChI=1S/C21H26ClFN2O2/c1-21(2,3)25-20(27)19-14(8-6-9-15(19)22)12-18(26)17(24)11-13-7-4-5-10-16(13)23/h4-10,17-18,26H,11-12,24H2,1-3H3,(H,25,27)
InChIKeyDBXPDCHNPHGPRW-UHFFFAOYSA-N
MW392.90 g/mol
LogP3.48
Rot. Bonds6

About 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide

2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide (PubChem CID 73230510) has the molecular formula C21H26ClFN2O2 and a molecular weight of 392.90 g/mol. Its IUPAC name is 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide.

Molecular Properties

Compound Name2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide
PubChem CID73230510
Molecular FormulaC21H26ClFN2O2
Molecular Weight392.90 g/mol
Exact Mass392.17
IUPAC Name2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide
SMILESCC(C)(C)NC(=O)c1c(Cl)cccc1CC(O)C(N)Cc1ccccc1F
InChIInChI=1S/C21H26ClFN2O2/c1-21(2,3)25-20(27)19-14(8-6-9-15(19)22)12-18(26)17(24)11-13-7-4-5-10-16(13)23/h4-10,17-18,26H,11-12,24H2,1-3H3,(H,25,27)
InChIKeyDBXPDCHNPHGPRW-UHFFFAOYSA-N
XLogP3.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-5-methylbenzamide
CID 69131710
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
2-[(2S,3R)-3-amino-4-(4-chloro-2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66638851
tert-butyl N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)-4-chlorophenyl]-1-(2-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
CID 69242612
2-[(2S,3R)-3-amino-2-hydroxy-4-(2,4,5-trifluorophenyl)butyl]-N-tert-butyl-4-(trifluoromethyl)benzamide
CID 89475569
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide
CID 72565285
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide?
The IUPAC name of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide (CID 73230510) is 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide.
What is the SMILES notation for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide?
The canonical SMILES for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide is CC(C)(C)NC(=O)c1c(Cl)cccc1CC(O)C(N)Cc1ccccc1F.
What is the InChIKey of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide?
The InChIKey is DBXPDCHNPHGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2O2/c1-21(2,3)25-20(27)19-14(8-6-9-15(19)22)12-18(26)17(24)11-13-7-4-5-10-16(13)23/h4-10,17-18,26H,11-12,24H2,1-3H3,(H,25,27).
What are the key properties of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide?
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide has a molecular weight of 392.90 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide is sourced from PubChem (CID 73230510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).