N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide

C23H25N2O3P — CID 25013304

IUPACN-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
SMILESCCOP(C)(=O)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C23H25N2O3P/c1-3-28-29(2,27)16-17-9-11-19(12-10-17)23(26)25-22-15-20(13-14-21(22)24)18-7-5-4-6-8-18/h4-15H,3,16,24H2,1-2H3,(H,25,26)
InChIKeyCTWHIIYQRAXVAL-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.63
Rot. Bonds7

About N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide (PubChem CID 25013304) has the molecular formula C23H25N2O3P and a molecular weight of 408.44 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
PubChem CID25013304
Molecular FormulaC23H25N2O3P
Molecular Weight408.44 g/mol
Exact Mass408.16
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
SMILESCCOP(C)(=O)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C23H25N2O3P/c1-3-28-29(2,27)16-17-9-11-19(12-10-17)23(26)25-22-15-20(13-14-21(22)24)18-7-5-4-6-8-18/h4-15H,3,16,24H2,1-2H3,(H,25,26)
InChIKeyCTWHIIYQRAXVAL-UHFFFAOYSA-N
XLogP5.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]-1-fluoroethyl]-ethoxyphosphinic acid
CID 87354168
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide (CID 25013304) is N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide is CCOP(C)(=O)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide?
The InChIKey is CTWHIIYQRAXVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2O3P/c1-3-28-29(2,27)16-17-9-11-19(12-10-17)23(26)25-22-15-20(13-14-21(22)24)18-7-5-4-6-8-18/h4-15H,3,16,24H2,1-2H3,(H,25,26).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide has a molecular weight of 408.44 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide is sourced from PubChem (CID 25013304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).