N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide

C27H32N3O2P — CID 143614079

IUPACN-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide
SMILESCCC(=O)N(CCP(C)C)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C27H32N3O2P/c1-4-26(31)30(16-17-33(2)3)19-20-10-12-22(13-11-20)27(32)29-25-18-23(14-15-24(25)28)21-8-6-5-7-9-21/h5-15,18H,4,16-17,19,28H2,1-3H3,(H,29,32)
InChIKeyVYDFIIVERXKRGA-UHFFFAOYSA-N
MW461.55 g/mol
LogP5.67
Rot. Bonds9

About N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide (PubChem CID 143614079) has the molecular formula C27H32N3O2P and a molecular weight of 461.55 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide
PubChem CID143614079
Molecular FormulaC27H32N3O2P
Molecular Weight461.55 g/mol
Exact Mass461.22
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide
SMILESCCC(=O)N(CCP(C)C)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C27H32N3O2P/c1-4-26(31)30(16-17-33(2)3)19-20-10-12-22(13-11-20)27(32)29-25-18-23(14-15-24(25)28)21-8-6-5-7-9-21/h5-15,18H,4,16-17,19,28H2,1-3H3,(H,29,32)
InChIKeyVYDFIIVERXKRGA-UHFFFAOYSA-N
XLogP5.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
[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]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-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
[1-[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]-1-fluoroethyl]-ethoxyphosphinic acid
CID 87354168

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide (CID 143614079) is N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide is CCC(=O)N(CCP(C)C)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide?
The InChIKey is VYDFIIVERXKRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N3O2P/c1-4-26(31)30(16-17-33(2)3)19-20-10-12-22(13-11-20)27(32)29-25-18-23(14-15-24(25)28)21-8-6-5-7-9-21/h5-15,18H,4,16-17,19,28H2,1-3H3,(H,29,32).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide has a molecular weight of 461.55 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide is sourced from PubChem (CID 143614079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).