[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

C22H18N2O5 — CID 108927899

IUPAC[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3)c2)c1
InChIInChI=1S/C22H18N2O5/c1-14(25)29-20-10-3-6-16(12-20)22(28)24-18-8-4-7-17(13-18)23-21(27)15-5-2-9-19(26)11-15/h2-13,26H,1H3,(H,23,27)(H,24,28)
InChIKeyPWVHCNLJUCPXQB-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.82
Rot. Bonds5

About [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927899) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927899
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3)c2)c1
InChIInChI=1S/C22H18N2O5/c1-14(25)29-20-10-3-6-16(12-20)22(28)24-18-8-4-7-17(13-18)23-21(27)15-5-2-9-19(26)11-15/h2-13,26H,1H3,(H,23,27)(H,24,28)
InChIKeyPWVHCNLJUCPXQB-UHFFFAOYSA-N
XLogP3.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 3881325
[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927824
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928042
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927894
[3-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927910
[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (CID 108927899) is [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3)c2)c1.
What is the InChIKey of [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is PWVHCNLJUCPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-14(25)29-20-10-3-6-16(12-20)22(28)24-18-8-4-7-17(13-18)23-21(27)15-5-2-9-19(26)11-15/h2-13,26H,1H3,(H,23,27)(H,24,28).
What are the key properties of [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 390.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).