N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide

C17H12Cl2F2N2O2 — CID 90513721

IUPACN-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H12Cl2F2N2O2/c18-11-2-1-3-14(15(11)19)22-16(24)10-7-23(8-10)17(25)9-4-5-12(20)13(21)6-9/h1-6,10H,7-8H2,(H,22,24)
InChIKeyCGYQKDIBBXKITD-UHFFFAOYSA-N
MW385.20 g/mol
LogP3.98
Rot. Bonds3

About N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide

N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide (PubChem CID 90513721) has the molecular formula C17H12Cl2F2N2O2 and a molecular weight of 385.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
PubChem CID90513721
Molecular FormulaC17H12Cl2F2N2O2
Molecular Weight385.20 g/mol
Exact Mass384.02
IUPAC NameN-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H12Cl2F2N2O2/c18-11-2-1-3-14(15(11)19)22-16(24)10-7-23(8-10)17(25)9-4-5-12(20)13(21)6-9/h1-6,10H,7-8H2,(H,22,24)
InChIKeyCGYQKDIBBXKITD-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513744
1-(3,4-difluorobenzoyl)-N-(2,5-difluorophenyl)azetidine-3-carboxamide
CID 90513727
1-(3,4-difluorobenzoyl)-N-(2-nitrophenyl)azetidine-3-carboxamide
CID 90513691
1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
CID 90513686
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513742
1-(3,4-difluorobenzoyl)-N-(4-ethylphenyl)azetidine-3-carboxamide
CID 90513680
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
N'-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)oxamide
CID 108987778

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide (CID 90513721) is N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
The InChIKey is CGYQKDIBBXKITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N2O2/c18-11-2-1-3-14(15(11)19)22-16(24)10-7-23(8-10)17(25)9-4-5-12(20)13(21)6-9/h1-6,10H,7-8H2,(H,22,24).
What are the key properties of N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide?
N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide has a molecular weight of 385.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).