(4-benzamidophenyl) acetate

C15H13NO3 — CID 34734144

IUPAC(4-benzamidophenyl) acetate
SMILESCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c1-11(17)19-14-9-7-13(8-10-14)16-15(18)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
InChIKeyMBMANTPXLYUUGC-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.86
Rot. Bonds3

About (4-benzamidophenyl) acetate

(4-benzamidophenyl) acetate (PubChem CID 34734144) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (4-benzamidophenyl) acetate.

Molecular Properties

Compound Name(4-benzamidophenyl) acetate
PubChem CID34734144
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(4-benzamidophenyl) acetate
SMILESCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c1-11(17)19-14-9-7-13(8-10-14)16-15(18)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
InChIKeyMBMANTPXLYUUGC-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzamidophenyl) benzoate
CID 569583
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 3881325
(4-benzamidophenyl) 2-acetamidopropanoate
CID 78778854
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide
CID 70189284
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate
CID 118047320
[4-[2-benzamido-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] acetate
CID 2860798
(4-benzamidophenyl)carbamic acid
CID 18543096

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) acetate?
The IUPAC name of (4-benzamidophenyl) acetate (CID 34734144) is (4-benzamidophenyl) acetate.
What is the SMILES notation for (4-benzamidophenyl) acetate?
The canonical SMILES for (4-benzamidophenyl) acetate is CC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzamidophenyl) acetate?
The InChIKey is MBMANTPXLYUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11(17)19-14-9-7-13(8-10-14)16-15(18)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18).
What are the key properties of (4-benzamidophenyl) acetate?
(4-benzamidophenyl) acetate has a molecular weight of 255.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) acetate is sourced from PubChem (CID 34734144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).