N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide

C19H18F2N2O2 — CID 90513547

IUPACN-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H18F2N2O2/c1-22(10-13-5-3-2-4-6-13)18(24)15-11-23(12-15)19(25)14-7-8-16(20)17(21)9-14/h2-9,15H,10-12H2,1H3
InChIKeyUZISXVCULBXVAI-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.70
Rot. Bonds4

About N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide

N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide (PubChem CID 90513547) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
PubChem CID90513547
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H18F2N2O2/c1-22(10-13-5-3-2-4-6-13)18(24)15-11-23(12-15)19(25)14-7-8-16(20)17(21)9-14/h2-9,15H,10-12H2,1H3
InChIKeyUZISXVCULBXVAI-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90513799
1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide
CID 90513583
1-benzyl-3-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56516014
(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 92996817
(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658185
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-benzyl-1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693664
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide (CID 90513547) is N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide?
The InChIKey is UZISXVCULBXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-22(10-13-5-3-2-4-6-13)18(24)15-11-23(12-15)19(25)14-7-8-16(20)17(21)9-14/h2-9,15H,10-12H2,1H3.
What are the key properties of N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide?
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 90513547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).