[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

C24H21N3O5 — CID 108928042

IUPAC[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C24H21N3O5/c1-15(28)25-19-9-5-7-17(13-19)23(30)26-21-11-3-4-12-22(21)27-24(31)18-8-6-10-20(14-18)32-16(2)29/h3-14H,1-2H3,(H,25,28)(H,26,30)(H,27,31)
InChIKeyOEDMAOBFBCTXOR-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.07
Rot. Bonds6

About [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108928042) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108928042
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C24H21N3O5/c1-15(28)25-19-9-5-7-17(13-19)23(30)26-21-11-3-4-12-22(21)27-24(31)18-8-6-10-20(14-18)32-16(2)29/h3-14H,1-2H3,(H,25,28)(H,26,30)(H,27,31)
InChIKeyOEDMAOBFBCTXOR-UHFFFAOYSA-N
XLogP4.07
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.07
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-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927976
[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927978
[3-[[2-(2-ethylbutanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108928061
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
[3-[[2-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928052
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
[3-[[2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928135
[3-[[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928136
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (CID 108928042) is [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Nc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC(C)=O)c2)c1.
What is the InChIKey of [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is OEDMAOBFBCTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-15(28)25-19-9-5-7-17(13-19)23(30)26-21-11-3-4-12-22(21)27-24(31)18-8-6-10-20(14-18)32-16(2)29/h3-14H,1-2H3,(H,25,28)(H,26,30)(H,27,31).
What are the key properties of [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 431.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108928042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).