N-tert-butyl-4-chloro-2-fluorobenzamide

C11H13ClFNO — CID 10130797

IUPACN-tert-butyl-4-chloro-2-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15)
InChIKeyBMRZRDSKJLADJM-UHFFFAOYSA-N
MW229.68 g/mol
LogP3.01
Rot. Bonds1

About N-tert-butyl-4-chloro-2-fluorobenzamide

N-tert-butyl-4-chloro-2-fluorobenzamide (PubChem CID 10130797) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-2-fluorobenzamide
PubChem CID10130797
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC NameN-tert-butyl-4-chloro-2-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15)
InChIKeyBMRZRDSKJLADJM-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-2-fluorobenzamide?
The IUPAC name of N-tert-butyl-4-chloro-2-fluorobenzamide (CID 10130797) is N-tert-butyl-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-tert-butyl-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-tert-butyl-4-chloro-2-fluorobenzamide is CC(C)(C)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-tert-butyl-4-chloro-2-fluorobenzamide?
The InChIKey is BMRZRDSKJLADJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-4-chloro-2-fluorobenzamide?
N-tert-butyl-4-chloro-2-fluorobenzamide has a molecular weight of 229.68 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 10130797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).