N-[(2-chlorophenyl)methyl]-4-fluorobenzamide

C14H11ClFNO — CID 2679561

IUPACN-[(2-chlorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(16)8-6-10/h1-8H,9H2,(H,17,18)
InChIKeyZWVGBDISFKQSTI-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.41
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-fluorobenzamide

N-[(2-chlorophenyl)methyl]-4-fluorobenzamide (PubChem CID 2679561) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-fluorobenzamide
PubChem CID2679561
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC NameN-[(2-chlorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(16)8-6-10/h1-8H,9H2,(H,17,18)
InChIKeyZWVGBDISFKQSTI-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-[(2-chlorophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluorobenzamide (CID 2679561) is N-[(2-chlorophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-fluorobenzamide is O=C(NCc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-fluorobenzamide?
The InChIKey is ZWVGBDISFKQSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(16)8-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-fluorobenzamide?
N-[(2-chlorophenyl)methyl]-4-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-[(2-chlorophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 2679561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).