N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide

C22H19FN2O2 — CID 18104758

IUPACN-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26)
InChIKeyABQNMOMAPSGPLD-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide

N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 18104758) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID18104758
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26)
InChIKeyABQNMOMAPSGPLD-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide (CID 18104758) is N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is ABQNMOMAPSGPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide?
N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 362.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzhydrylamino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 18104758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).