N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide

C15H12ClF2NO2 — CID 42893435

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12ClF2NO2/c16-11-3-1-9(2-4-11)14(20)8-19-15(21)10-5-12(17)7-13(18)6-10/h1-7,14,20H,8H2,(H,19,21)
InChIKeyDBXZQDNVHDJJFV-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide (PubChem CID 42893435) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide
PubChem CID42893435
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12ClF2NO2/c16-11-3-1-9(2-4-11)14(20)8-19-15(21)10-5-12(17)7-13(18)6-10/h1-7,14,20H,8H2,(H,19,21)
InChIKeyDBXZQDNVHDJJFV-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide (CID 42893435) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide is O=C(NCC(O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide?
The InChIKey is DBXZQDNVHDJJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-11-3-1-9(2-4-11)14(20)8-19-15(21)10-5-12(17)7-13(18)6-10/h1-7,14,20H,8H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide has a molecular weight of 311.72 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 42893435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).