benzamido 4-chlorobenzoate

C14H10ClNO3 — CID 2804317

IUPACbenzamido 4-chlorobenzoate
SMILESO=C(NOC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H10ClNO3/c15-12-8-6-11(7-9-12)14(18)19-16-13(17)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeyMNEREIPPNVLVLZ-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.84
Rot. Bonds2

About benzamido 4-chlorobenzoate

benzamido 4-chlorobenzoate (PubChem CID 2804317) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is benzamido 4-chlorobenzoate.

Molecular Properties

Compound Namebenzamido 4-chlorobenzoate
PubChem CID2804317
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Namebenzamido 4-chlorobenzoate
SMILESO=C(NOC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H10ClNO3/c15-12-8-6-11(7-9-12)14(18)19-16-13(17)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeyMNEREIPPNVLVLZ-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzamido 4-chlorobenzoate?
The IUPAC name of benzamido 4-chlorobenzoate (CID 2804317) is benzamido 4-chlorobenzoate.
What is the SMILES notation for benzamido 4-chlorobenzoate?
The canonical SMILES for benzamido 4-chlorobenzoate is O=C(NOC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of benzamido 4-chlorobenzoate?
The InChIKey is MNEREIPPNVLVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-12-8-6-11(7-9-12)14(18)19-16-13(17)10-4-2-1-3-5-10/h1-9H,(H,16,17).
What are the key properties of benzamido 4-chlorobenzoate?
benzamido 4-chlorobenzoate has a molecular weight of 275.69 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 4-chlorobenzoate is sourced from PubChem (CID 2804317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).