4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide

C15H11ClFNO3 — CID 91071201

IUPAC4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide
SMILESCOc1ccc(C(=O)NC(=O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H11ClFNO3/c1-21-11-5-2-9(3-6-11)14(19)18-15(20)10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,19,20)
InChIKeyKRNMBDIBUCSUPQ-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide

4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide (PubChem CID 91071201) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide
PubChem CID91071201
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide
SMILESCOc1ccc(C(=O)NC(=O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H11ClFNO3/c1-21-11-5-2-9(3-6-11)14(19)18-15(20)10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,19,20)
InChIKeyKRNMBDIBUCSUPQ-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide (CID 91071201) is 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide is COc1ccc(C(=O)NC(=O)c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide?
The InChIKey is KRNMBDIBUCSUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-21-11-5-2-9(3-6-11)14(19)18-15(20)10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,19,20).
What are the key properties of 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide?
4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide has a molecular weight of 307.71 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide is sourced from PubChem (CID 91071201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).