N-benzyl-2-chloro-6-fluorobenzamide

C14H11ClFNO — CID 898317

IUPACN-benzyl-2-chloro-6-fluorobenzamide
SMILESO=C(NCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO/c15-11-7-4-8-12(16)13(11)14(18)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyVXENIMJNFPKGHX-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.41
Rot. Bonds3

About N-benzyl-2-chloro-6-fluorobenzamide

N-benzyl-2-chloro-6-fluorobenzamide (PubChem CID 898317) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is N-benzyl-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-6-fluorobenzamide
PubChem CID898317
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC NameN-benzyl-2-chloro-6-fluorobenzamide
SMILESO=C(NCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO/c15-11-7-4-8-12(16)13(11)14(18)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyVXENIMJNFPKGHX-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-6-fluorobenzamide?
The IUPAC name of N-benzyl-2-chloro-6-fluorobenzamide (CID 898317) is N-benzyl-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-benzyl-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-benzyl-2-chloro-6-fluorobenzamide is O=C(NCc1ccccc1)c1c(F)cccc1Cl.
What is the InChIKey of N-benzyl-2-chloro-6-fluorobenzamide?
The InChIKey is VXENIMJNFPKGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-11-7-4-8-12(16)13(11)14(18)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of N-benzyl-2-chloro-6-fluorobenzamide?
N-benzyl-2-chloro-6-fluorobenzamide has a molecular weight of 263.70 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 898317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).