N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide

C24H23ClN2O2 — CID 118247047

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N([C@H](C)c1cccc(Cl)c1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C24H23ClN2O2/c1-16-9-6-7-14-21(16)24(29)27(17(2)19-12-8-13-20(25)15-19)22(23(26)28)18-10-4-3-5-11-18/h3-15,17,22H,1-2H3,(H2,26,28)/t17-,22-/m1/s1
InChIKeyMGPGCLRMPKJBKY-VGOFRKELSA-N
MW406.91 g/mol
LogP5.08
Rot. Bonds6

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide (PubChem CID 118247047) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide
PubChem CID118247047
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N([C@H](C)c1cccc(Cl)c1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C24H23ClN2O2/c1-16-9-6-7-14-21(16)24(29)27(17(2)19-12-8-13-20(25)15-19)22(23(26)28)18-10-4-3-5-11-18/h3-15,17,22H,1-2H3,(H2,26,28)/t17-,22-/m1/s1
InChIKeyMGPGCLRMPKJBKY-VGOFRKELSA-N
XLogP5.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Calhex 231
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CID 676589
Dipeptidyl nitrile inhibitor, 1
CID 44224113
Dipeptidyl nitrile inhibitor, 7
CID 44224117
Dipeptidyl nitrile inhibitor, 8
CID 44224118
Dipeptidyl nitrile inhibitor, 9
CID 44224119

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide (CID 118247047) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)N([C@H](C)c1cccc(Cl)c1)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide?
The InChIKey is MGPGCLRMPKJBKY-VGOFRKELSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-16-9-6-7-14-21(16)24(29)27(17(2)19-12-8-13-20(25)15-19)22(23(26)28)18-10-4-3-5-11-18/h3-15,17,22H,1-2H3,(H2,26,28)/t17-,22-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide has a molecular weight of 406.91 g/mol, XLogP of 5.08, 6 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)-1-(3-chlorophenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 118247047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).