N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide

C18H19FN2O2 — CID 2541616

IUPACN-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-21(4-2)18(23)13-8-10-16(11-9-13)20-17(22)14-6-5-7-15(19)12-14/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyMRPMHFMAGPIECC-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.56
Rot. Bonds5

About N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide

N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide (PubChem CID 2541616) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide
PubChem CID2541616
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-21(4-2)18(23)13-8-10-16(11-9-13)20-17(22)14-6-5-7-15(19)12-14/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyMRPMHFMAGPIECC-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide (CID 2541616) is N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide?
The InChIKey is MRPMHFMAGPIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-21(4-2)18(23)13-8-10-16(11-9-13)20-17(22)14-6-5-7-15(19)12-14/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide?
N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 2541616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).