benzyl 4-formamidobenzoate

C15H13NO3 — CID 100979442

IUPACbenzyl 4-formamidobenzoate
SMILESO=CNc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c17-11-16-14-8-6-13(7-9-14)15(18)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,16,17)
InChIKeyYRNIDXVWFGXAFI-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.61
Rot. Bonds5

About benzyl 4-formamidobenzoate

benzyl 4-formamidobenzoate (PubChem CID 100979442) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is benzyl 4-formamidobenzoate.

Molecular Properties

Compound Namebenzyl 4-formamidobenzoate
PubChem CID100979442
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namebenzyl 4-formamidobenzoate
SMILESO=CNc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c17-11-16-14-8-6-13(7-9-14)15(18)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,16,17)
InChIKeyYRNIDXVWFGXAFI-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl 4-formamidobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl benzoate
CID 2345
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-acetylbenzoate
CID 590101
benzyl 4-bromobenzoate
CID 603177
benzyl 4-[(E)-2-bromoethenyl]benzoate
CID 102410542
benzyl acetate;benzyl benzoate
CID 158805672
benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl 4-dimethylboranylbenzoate
CID 58436969
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzyl 4-acetyloxybenzoate
CID 734064
(E)-2-methyl-3-(4-phenylmethoxycarbonylphenyl)prop-2-enoic acid
CID 10447264
ethyl 4-[(4-formamidophenyl)diazenyl]benzoate
CID 577472

Frequently Asked Questions

What is the IUPAC name of benzyl 4-formamidobenzoate?
The IUPAC name of benzyl 4-formamidobenzoate (CID 100979442) is benzyl 4-formamidobenzoate.
What is the SMILES notation for benzyl 4-formamidobenzoate?
The canonical SMILES for benzyl 4-formamidobenzoate is O=CNc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-formamidobenzoate?
The InChIKey is YRNIDXVWFGXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-11-16-14-8-6-13(7-9-14)15(18)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,16,17).
What are the key properties of benzyl 4-formamidobenzoate?
benzyl 4-formamidobenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-formamidobenzoate is sourced from PubChem (CID 100979442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).