N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide

C24H21ClN2O2 — CID 86278936

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C24H21ClN2O2/c25-19-13-11-16-12-14-21(20(16)15-19)27(24(29)18-9-5-2-6-10-18)22(23(26)28)17-7-3-1-4-8-17/h1-11,13,15,21-22H,12,14H2,(H2,26,28)/t21-,22-/m1/s1
InChIKeyHBEAZXOGFOMJAE-FGZHOGPDSA-N
MW404.90 g/mol
LogP4.70
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 86278936) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID86278936
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C24H21ClN2O2/c25-19-13-11-16-12-14-21(20(16)15-19)27(24(29)18-9-5-2-6-10-18)22(23(26)28)17-7-3-1-4-8-17/h1-11,13,15,21-22H,12,14H2,(H2,26,28)/t21-,22-/m1/s1
InChIKeyHBEAZXOGFOMJAE-FGZHOGPDSA-N
XLogP4.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-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

Jnj-63533054
CID 2548547
Dipeptidyl nitrile inhibitor, 1
CID 44224113
Dipeptidyl nitrile inhibitor, 9
CID 44224119
Dipeptidyl nitrile inhibitor, 12
CID 44224122
Dipeptidyl nitrile inhibitor, 14
CID 44224124
Dipeptidyl nitrile inhibitor, 15
CID 44224125
4-chloro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155566273
3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 4879329
4''''-Chloro-biphenyl-4-carboxylic acid (1-benzyl-pyrrolidin-3-yl)-amide
CID 9821803
(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11677875
(R)-N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)benzamide
CID 24758044
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 24758172

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 86278936) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is HBEAZXOGFOMJAE-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-19-13-11-16-12-14-21(20(16)15-19)27(24(29)18-9-5-2-6-10-18)22(23(26)28)17-7-3-1-4-8-17/h1-11,13,15,21-22H,12,14H2,(H2,26,28)/t21-,22-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 86278936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).