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

C19H18F2N2O2 — CID 90513680

IUPAC1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C19H18F2N2O2/c1-2-12-3-6-15(7-4-12)22-18(24)14-10-23(11-14)19(25)13-5-8-16(20)17(21)9-13/h3-9,14H,2,10-11H2,1H3,(H,22,24)
InChIKeyKAZHWYWIUBLSDW-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.24
Rot. Bonds4

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

1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide (PubChem CID 90513680) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
PubChem CID90513680
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C19H18F2N2O2/c1-2-12-3-6-15(7-4-12)22-18(24)14-10-23(11-14)19(25)13-5-8-16(20)17(21)9-13/h3-9,14H,2,10-11H2,1H3,(H,22,24)
InChIKeyKAZHWYWIUBLSDW-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.24
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
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
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513721
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
CID 110364027
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide (CID 90513680) is 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide is CCc1ccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide?
The InChIKey is KAZHWYWIUBLSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-2-12-3-6-15(7-4-12)22-18(24)14-10-23(11-14)19(25)13-5-8-16(20)17(21)9-13/h3-9,14H,2,10-11H2,1H3,(H,22,24).
What are the key properties of 1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide?
1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.24, 4 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-ethylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).