[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid

C19H19N2O4P — CID 2322164

IUPAC[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid
SMILESCc1cc(C(=O)NP(=O)(O)O)c(C)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N2O4P/c1-13-12-18(19(22)20-26(23,24)25)14(2)21(13)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H3,20,22,23,24,25)
InChIKeyITNKBDDTPXVFSL-UHFFFAOYSA-N
MW370.35 g/mol
LogP3.58
Rot. Bonds4

About [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid

[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid (PubChem CID 2322164) has the molecular formula C19H19N2O4P and a molecular weight of 370.35 g/mol. Its IUPAC name is [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid.

Molecular Properties

Compound Name[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid
PubChem CID2322164
Molecular FormulaC19H19N2O4P
Molecular Weight370.35 g/mol
Exact Mass370.11
IUPAC Name[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid
SMILESCc1cc(C(=O)NP(=O)(O)O)c(C)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N2O4P/c1-13-12-18(19(22)20-26(23,24)25)14(2)21(13)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H3,20,22,23,24,25)
InChIKeyITNKBDDTPXVFSL-UHFFFAOYSA-N
XLogP3.58
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
1-(4-ethoxyphenyl)-2,5-dimethyl-N-phosphonatopyrrole-3-carboxamide
CID 7689761
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
5-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]pentanoic acid
CID 119234907
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
CID 7929302
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432

Frequently Asked Questions

What is the IUPAC name of [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid?
The IUPAC name of [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid (CID 2322164) is [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid.
What is the SMILES notation for [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid?
The canonical SMILES for [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid is Cc1cc(C(=O)NP(=O)(O)O)c(C)n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid?
The InChIKey is ITNKBDDTPXVFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O4P/c1-13-12-18(19(22)20-26(23,24)25)14(2)21(13)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H3,20,22,23,24,25).
What are the key properties of [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid?
[[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid has a molecular weight of 370.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,5-dimethyl-1-(4-phenylphenyl)pyrrole-3-carbonyl]amino]phosphonic acid is sourced from PubChem (CID 2322164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).