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

C18H15ClF2N2O2 — CID 90513744

IUPACN-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H15ClF2N2O2/c1-10-2-4-13(19)7-16(10)22-17(24)12-8-23(9-12)18(25)11-3-5-14(20)15(21)6-11/h2-7,12H,8-9H2,1H3,(H,22,24)
InChIKeySUYRURQCQJQRPI-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.64
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide (PubChem CID 90513744) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
PubChem CID90513744
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H15ClF2N2O2/c1-10-2-4-13(19)7-16(10)22-17(24)12-8-23(9-12)18(25)11-3-5-14(20)15(21)6-11/h2-7,12H,8-9H2,1H3,(H,22,24)
InChIKeySUYRURQCQJQRPI-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513721
1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
CID 90513727
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
CID 90513686
1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
CID 90513680
1-(3,4-difluorobenzoyl)-N-(2-nitrophenyl)azetidine-3-carboxamide
CID 90513691
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 93069842
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513742
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide (CID 90513744) is N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
The InChIKey is SUYRURQCQJQRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-10-2-4-13(19)7-16(10)22-17(24)12-8-23(9-12)18(25)11-3-5-14(20)15(21)6-11/h2-7,12H,8-9H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide has a molecular weight of 364.78 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).