1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide

C17H13F3N2O2 — CID 90513686

IUPAC1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H13F3N2O2/c18-12-2-4-13(5-3-12)21-16(23)11-8-22(9-11)17(24)10-1-6-14(19)15(20)7-10/h1-7,11H,8-9H2,(H,21,23)
InChIKeyCJBPDGUDNLOIFI-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.81
Rot. Bonds3

About 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide

1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide (PubChem CID 90513686) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
PubChem CID90513686
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H13F3N2O2/c18-12-2-4-13(5-3-12)21-16(23)11-8-22(9-11)17(24)10-1-6-14(19)15(20)7-10/h1-7,11H,8-9H2,(H,21,23)
InChIKeyCJBPDGUDNLOIFI-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
CID 90513680
1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
CID 90513727
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513742
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
N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868400
1-(3,4-difluorobenzoyl)-N-(2-nitrophenyl)azetidine-3-carboxamide
CID 90513691
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513859
1-(1,3-benzodioxole-5-carbonyl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90512866
1-(3,4-difluorobenzoyl)-N-[(3R)-2-oxothiolan-3-yl]azetidine-3-carboxamide
CID 95369155
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide (CID 90513686) is 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide is O=C(Nc1ccc(F)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide?
The InChIKey is CJBPDGUDNLOIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-12-2-4-13(5-3-12)21-16(23)11-8-22(9-11)17(24)10-1-6-14(19)15(20)7-10/h1-7,11H,8-9H2,(H,21,23).
What are the key properties of 1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide?
1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 2.81, 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-(4-fluorophenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).