N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide

C15H13ClFNO — CID 3781268

IUPACN-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-2-6-13(16)7-3-11)18-15(19)12-4-8-14(17)9-5-12/h2-10H,1H3,(H,18,19)
InChIKeyWCPDOFVPTAXHQT-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.97
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide

N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide (PubChem CID 3781268) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide
PubChem CID3781268
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-2-6-13(16)7-3-11)18-15(19)12-4-8-14(17)9-5-12/h2-10H,1H3,(H,18,19)
InChIKeyWCPDOFVPTAXHQT-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide (CID 3781268) is N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide?
The InChIKey is WCPDOFVPTAXHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10(11-2-6-13(16)7-3-11)18-15(19)12-4-8-14(17)9-5-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide?
N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 3781268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).