1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide

C17H12F4N2O2 — CID 90513727

IUPAC1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H12F4N2O2/c18-11-2-4-13(20)15(6-11)22-16(24)10-7-23(8-10)17(25)9-1-3-12(19)14(21)5-9/h1-6,10H,7-8H2,(H,22,24)
InChIKeyZNSHLZSBAIGGTB-UHFFFAOYSA-N
MW352.29 g/mol
LogP2.95
Rot. Bonds3

About 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide

1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide (PubChem CID 90513727) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
PubChem CID90513727
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H12F4N2O2/c18-11-2-4-13(20)15(6-11)22-16(24)10-7-23(8-10)17(25)9-1-3-12(19)14(21)5-9/h1-6,10H,7-8H2,(H,22,24)
InChIKeyZNSHLZSBAIGGTB-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
CID 90513686
N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513744
N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513721
1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
CID 90513680
1-(3,4-difluorobenzoyl)-N-(2-nitrophenyl)azetidine-3-carboxamide
CID 90513691
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513742
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90513597
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513859
1-(3,4-difluorobenzoyl)-N-[(3R)-2-oxothiolan-3-yl]azetidine-3-carboxamide
CID 95369155
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide (CID 90513727) is 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide is O=C(Nc1cc(F)ccc1F)C1CN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide?
The InChIKey is ZNSHLZSBAIGGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-11-2-4-13(20)15(6-11)22-16(24)10-7-23(8-10)17(25)9-1-3-12(19)14(21)5-9/h1-6,10H,7-8H2,(H,22,24).
What are the key properties of 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide?
1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).