[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid

C19H17N2O4P — CID 69002653

IUPAC[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C19H17N2O4P/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)21-19(22)14-6-9-16(10-7-14)26(23,24)25/h1-12H,20H2,(H,21,22)(H2,23,24,25)
InChIKeyMRTULDONXZKUAL-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.99
Rot. Bonds4

About [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid

[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid (PubChem CID 69002653) has the molecular formula C19H17N2O4P and a molecular weight of 368.33 g/mol. Its IUPAC name is [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
PubChem CID69002653
Molecular FormulaC19H17N2O4P
Molecular Weight368.33 g/mol
Exact Mass368.09
IUPAC Name[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C19H17N2O4P/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)21-19(22)14-6-9-16(10-7-14)26(23,24)25/h1-12H,20H2,(H,21,22)(H2,23,24,25)
InChIKeyMRTULDONXZKUAL-UHFFFAOYSA-N
XLogP2.99
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.99
H-Bond Donors ≤ 54
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

N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-(2-amino-5-phenylphenyl)-4-azidobenzamide
CID 62706003
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
CID 46887334
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
[1-[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]-1-fluoroethyl]-ethoxyphosphinic acid
CID 87354168
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
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-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid?
The IUPAC name of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid (CID 69002653) is [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(P(=O)(O)O)cc1.
What is the InChIKey of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid?
The InChIKey is MRTULDONXZKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2O4P/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)21-19(22)14-6-9-16(10-7-14)26(23,24)25/h1-12H,20H2,(H,21,22)(H2,23,24,25).
What are the key properties of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid?
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid has a molecular weight of 368.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid is sourced from PubChem (CID 69002653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).