N-(4-aminophenyl)-3-chloro-2-fluorobenzamide

C13H10ClFN2O — CID 81267741

IUPACN-(4-aminophenyl)-3-chloro-2-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-11-3-1-2-10(12(11)15)13(18)17-9-6-4-8(16)5-7-9/h1-7H,16H2,(H,17,18)
InChIKeySJMKLKJCCXVTLM-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.31
Rot. Bonds2

About N-(4-aminophenyl)-3-chloro-2-fluorobenzamide

N-(4-aminophenyl)-3-chloro-2-fluorobenzamide (PubChem CID 81267741) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-chloro-2-fluorobenzamide
PubChem CID81267741
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC NameN-(4-aminophenyl)-3-chloro-2-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-11-3-1-2-10(12(11)15)13(18)17-9-6-4-8(16)5-7-9/h1-7H,16H2,(H,17,18)
InChIKeySJMKLKJCCXVTLM-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(4-aminophenyl)-3-chloro-2-fluorobenzamide (CID 81267741) is N-(4-aminophenyl)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(4-aminophenyl)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(4-aminophenyl)-3-chloro-2-fluorobenzamide is Nc1ccc(NC(=O)c2cccc(Cl)c2F)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-chloro-2-fluorobenzamide?
The InChIKey is SJMKLKJCCXVTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-11-3-1-2-10(12(11)15)13(18)17-9-6-4-8(16)5-7-9/h1-7H,16H2,(H,17,18).
What are the key properties of N-(4-aminophenyl)-3-chloro-2-fluorobenzamide?
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide has a molecular weight of 264.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 81267741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).