2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid

C22H18N2O5 — CID 5088878

IUPAC2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H18N2O5/c25-20(23-24-21(26)17-11-4-5-12-18(17)22(27)28)14-29-19-13-7-6-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyBIQYDUROSWGYOH-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.89
Rot. Bonds6

About 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid

2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid (PubChem CID 5088878) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
PubChem CID5088878
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H18N2O5/c25-20(23-24-21(26)17-11-4-5-12-18(17)22(27)28)14-29-19-13-7-6-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyBIQYDUROSWGYOH-UHFFFAOYSA-N
XLogP2.89
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17094335
2-(difluoromethoxy)-3-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 55333264
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
2-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 134095807
2-bromo-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3509710
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid (CID 5088878) is 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid?
The InChIKey is BIQYDUROSWGYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c25-20(23-24-21(26)17-11-4-5-12-18(17)22(27)28)14-29-19-13-7-6-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid?
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid is sourced from PubChem (CID 5088878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).