N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide

C24H21ClN2O2 — CID 118935151

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C24H21ClN2O2/c25-20-13-7-12-19-18(20)14-15-21(19)27(24(29)17-10-5-2-6-11-17)22(23(26)28)16-8-3-1-4-9-16/h1-13,21-22H,14-15H2,(H2,26,28)/t21-,22-/m1/s1
InChIKeyBVVPWCIGYQGTPQ-FGZHOGPDSA-N
MW404.90 g/mol
LogP4.70
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935151) 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)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID118935151
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C24H21ClN2O2/c25-20-13-7-12-19-18(20)14-15-21(19)27(24(29)17-10-5-2-6-11-17)22(23(26)28)16-8-3-1-4-9-16/h1-13,21-22H,14-15H2,(H2,26,28)/t21-,22-/m1/s1
InChIKeyBVVPWCIGYQGTPQ-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935151) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-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)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(Cl)cccc21.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is BVVPWCIGYQGTPQ-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-20-13-7-12-19-18(20)14-15-21(19)27(24(29)17-10-5-2-6-11-17)22(23(26)28)16-8-3-1-4-9-16/h1-13,21-22H,14-15H2,(H2,26,28)/t21-,22-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4-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)-4-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).