N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide

C22H20N2O2 — CID 765686

IUPACN-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
SMILESCc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-16-10-8-9-15-19(16)23-21(20(25)17-11-4-2-5-12-17)24-22(26)18-13-6-3-7-14-18/h2-15,21,23H,1H3,(H,24,26)/t21-/m0/s1
InChIKeyPICGSDCTGOFIBY-NRFANRHFSA-N
MW344.41 g/mol
LogP4.05
Rot. Bonds6

About N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide

N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide (PubChem CID 765686) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
PubChem CID765686
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
SMILESCc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-16-10-8-9-15-19(16)23-21(20(25)17-11-4-2-5-12-17)24-22(26)18-13-6-3-7-14-18/h2-15,21,23H,1H3,(H,24,26)/t21-/m0/s1
InChIKeyPICGSDCTGOFIBY-NRFANRHFSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
CID 34056194
N-[(1R)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
CID 1089488
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 978963
2,2-dibenzamidoacetic acid
CID 12521150
ethyl N-[(1S)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 35580456
ethyl N-[1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 45155644
methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
CID 4084181

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide (CID 765686) is N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide is Cc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is PICGSDCTGOFIBY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-16-10-8-9-15-19(16)23-21(20(25)17-11-4-2-5-12-17)24-22(26)18-13-6-3-7-14-18/h2-15,21,23H,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide?
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 765686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).