2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid

C22H18N2O5 — CID 162649890

IUPAC2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccc(C(=O)NO)c(-c2ccccc2)c1
InChIInChI=1S/C22H18N2O5/c25-20(16-8-4-5-9-18(16)22(27)28)23-13-14-10-11-17(21(26)24-29)19(12-14)15-6-2-1-3-7-15/h1-12,29H,13H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyNZZXJHIUQAVZSF-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.10
Rot. Bonds6

About 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid

2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid (PubChem CID 162649890) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid
PubChem CID162649890
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccc(C(=O)NO)c(-c2ccccc2)c1
InChIInChI=1S/C22H18N2O5/c25-20(16-8-4-5-9-18(16)22(27)28)23-13-14-10-11-17(21(26)24-29)19(12-14)15-6-2-1-3-7-15/h1-12,29H,13H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyNZZXJHIUQAVZSF-UHFFFAOYSA-N
XLogP3.10
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid (CID 162649890) is 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCc1ccc(C(=O)NO)c(-c2ccccc2)c1.
What is the InChIKey of 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid?
The InChIKey is NZZXJHIUQAVZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c25-20(16-8-4-5-9-18(16)22(27)28)23-13-14-10-11-17(21(26)24-29)19(12-14)15-6-2-1-3-7-15/h1-12,29H,13H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid?
2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methylcarbamoyl]benzoic acid is sourced from PubChem (CID 162649890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).