1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide

C17H22F2N2O2 — CID 90513447

IUPAC1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1)C(C)C
InChIInChI=1S/C17H22F2N2O2/c1-10(2)21(11(3)4)17(23)13-8-20(9-13)16(22)12-5-6-14(18)15(19)7-12/h5-7,10-11,13H,8-9H2,1-4H3
InChIKeyFXVUZUJNKVCEEJ-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.68
Rot. Bonds4

About 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide

1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide (PubChem CID 90513447) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
PubChem CID90513447
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1)C(C)C
InChIInChI=1S/C17H22F2N2O2/c1-10(2)21(11(3)4)17(23)13-8-20(9-13)16(22)12-5-6-14(18)15(19)7-12/h5-7,10-11,13H,8-9H2,1-4H3
InChIKeyFXVUZUJNKVCEEJ-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide
CID 90513583
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
CID 90513547
1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
CID 90513686
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90513597
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
CID 103576062
1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
CID 90513680
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513742
1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
CID 90513727
N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513744
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide (CID 90513447) is 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide is CC(C)N(C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1)C(C)C.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The InChIKey is FXVUZUJNKVCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-10(2)21(11(3)4)17(23)13-8-20(9-13)16(22)12-5-6-14(18)15(19)7-12/h5-7,10-11,13H,8-9H2,1-4H3.
What are the key properties of 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide?
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90513447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).