N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide

C22H22NO3P — CID 10915868

IUPACN-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
SMILESCOP(=O)(c1ccccc1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H22NO3P/c1-26-27(25,20-15-9-4-10-16-20)21(17-18-11-5-2-6-12-18)23-22(24)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3,(H,23,24)/t21-,27?/m0/s1
InChIKeyMKAODCREZWJGSM-LWAJAQLZSA-N
MW379.40 g/mol
LogP4.24
Rot. Bonds7

About N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide

N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide (PubChem CID 10915868) has the molecular formula C22H22NO3P and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
PubChem CID10915868
Molecular FormulaC22H22NO3P
Molecular Weight379.40 g/mol
Exact Mass379.13
IUPAC NameN-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
SMILESCOP(=O)(c1ccccc1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H22NO3P/c1-26-27(25,20-15-9-4-10-16-20)21(17-18-11-5-2-6-12-18)23-22(24)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3,(H,23,24)/t21-,27?/m0/s1
InChIKeyMKAODCREZWJGSM-LWAJAQLZSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176
N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
CID 100927094
N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 15882211
N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 100927098
N-[1-dimethoxyphosphoryl-2-(4-nitrophenyl)ethyl]benzamide
CID 85367009
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
methyl 5-benzamido-4-oxo-6-phenylhexanoate
CID 12854251
[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
CID 100983027
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide (CID 10915868) is N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide is COP(=O)(c1ccccc1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
The InChIKey is MKAODCREZWJGSM-LWAJAQLZSA-N. The full InChI is InChI=1S/C22H22NO3P/c1-26-27(25,20-15-9-4-10-16-20)21(17-18-11-5-2-6-12-18)23-22(24)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3,(H,23,24)/t21-,27?/m0/s1.
What are the key properties of N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide?
N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide has a molecular weight of 379.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide is sourced from PubChem (CID 10915868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).