N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide

C18H16F2N2O2 — CID 144899971

IUPACN-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide
SMILESO=C1CC(C(F)F)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c19-17(20)14-11-15(23)22(14)18(24)21-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2,(H,21,24)
InChIKeyPGQHUFDKMMCFGJ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.35
Rot. Bonds4

About N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide

N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide (PubChem CID 144899971) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide
PubChem CID144899971
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC NameN-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide
SMILESO=C1CC(C(F)F)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c19-17(20)14-11-15(23)22(14)18(24)21-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2,(H,21,24)
InChIKeyPGQHUFDKMMCFGJ-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide?
The IUPAC name of N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide (CID 144899971) is N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide is O=C1CC(C(F)F)N1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide?
The InChIKey is PGQHUFDKMMCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-17(20)14-11-15(23)22(14)18(24)21-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2,(H,21,24).
What are the key properties of N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide?
N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(difluoromethyl)-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 144899971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).