N-butyl-2-chloro-4-fluorobenzamide

C11H13ClFNO — CID 6469204

IUPACN-butyl-2-chloro-4-fluorobenzamide
SMILESCCCCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyGMHNUXXFYSGURP-UHFFFAOYSA-N
MW229.68 g/mol
LogP3.01
Rot. Bonds4

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

N-butyl-2-chloro-4-fluorobenzamide (PubChem CID 6469204) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is N-butyl-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-4-fluorobenzamide
PubChem CID6469204
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC NameN-butyl-2-chloro-4-fluorobenzamide
SMILESCCCCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyGMHNUXXFYSGURP-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-fluorobenzamide?
The IUPAC name of N-butyl-2-chloro-4-fluorobenzamide (CID 6469204) is N-butyl-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-butyl-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-butyl-2-chloro-4-fluorobenzamide is CCCCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-butyl-2-chloro-4-fluorobenzamide?
The InChIKey is GMHNUXXFYSGURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-butyl-2-chloro-4-fluorobenzamide?
N-butyl-2-chloro-4-fluorobenzamide has a molecular weight of 229.68 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 6469204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).