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

C22H20N2O3 — CID 1085147

IUPACN-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
SMILESCOc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-19-15-9-8-14-18(19)23-21(20(25)16-10-4-2-5-11-16)24-22(26)17-12-6-3-7-13-17/h2-15,21,23H,1H3,(H,24,26)/t21-/m0/s1
InChIKeyINWMXXWXXXTLMV-NRFANRHFSA-N
MW360.41 g/mol
LogP3.75
Rot. Bonds7

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

N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide (PubChem CID 1085147) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
PubChem CID1085147
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
SMILESCOc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-19-15-9-8-14-18(19)23-21(20(25)16-10-4-2-5-11-16)24-22(26)17-12-6-3-7-13-17/h2-15,21,23H,1H3,(H,24,26)/t21-/m0/s1
InChIKeyINWMXXWXXXTLMV-NRFANRHFSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 978963
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
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-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34318112
2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione
CID 11760150
N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 1323835
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938
methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
CID 4084181
methyl N-[(1S)-1-(2-chloroanilino)-2-oxo-2-phenylethyl]carbamate
CID 34259420

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide (CID 1085147) is N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide is COc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is INWMXXWXXXTLMV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-19-15-9-8-14-18(19)23-21(20(25)16-10-4-2-5-11-16)24-22(26)17-12-6-3-7-13-17/h2-15,21,23H,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide?
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 360.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 1085147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).