N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide

C20H14Cl2N2O3 — CID 5190317

IUPACN,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(Cl)c2)(c2ccco2)N1c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-13-4-1-6-15(10-13)23-19(26)20(17-8-3-9-27-17)12-18(25)24(20)16-7-2-5-14(22)11-16/h1-11H,12H2,(H,23,26)
InChIKeyCNAJDKKLSSYUKF-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.86
Rot. Bonds4

About N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide

N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide (PubChem CID 5190317) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide
PubChem CID5190317
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC NameN,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(Cl)c2)(c2ccco2)N1c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-13-4-1-6-15(10-13)23-19(26)20(17-8-3-9-27-17)12-18(25)24(20)16-7-2-5-14(22)11-16/h1-11H,12H2,(H,23,26)
InChIKeyCNAJDKKLSSYUKF-UHFFFAOYSA-N
XLogP4.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4564262
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1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 151044125
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
N-(3-chlorophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4078240
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CID 7345091
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
N-(3-chlorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 23945554
(1R,4R)-N-(3-chlorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6543960
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
N-(3-chlorophenyl)-5,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide
CID 4730804

Frequently Asked Questions

What is the IUPAC name of N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide (CID 5190317) is N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide is O=C1CC(C(=O)Nc2cccc(Cl)c2)(c2ccco2)N1c1cccc(Cl)c1.
What is the InChIKey of N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide?
The InChIKey is CNAJDKKLSSYUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c21-13-4-1-6-15(10-13)23-19(26)20(17-8-3-9-27-17)12-18(25)24(20)16-7-2-5-14(22)11-16/h1-11H,12H2,(H,23,26).
What are the key properties of N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide?
N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide has a molecular weight of 401.25 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 5190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).