N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide

C25H19Cl2N3O2 — CID 3625796

IUPACN,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1C1(C(=O)Nc2ccc(Cl)cc2)CC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2N3O2/c1-15-23(20-4-2-3-5-21(20)28-15)25(24(32)29-18-10-6-16(26)7-11-18)14-22(31)30(25)19-12-8-17(27)9-13-19/h2-13,28H,14H2,1H3,(H,29,32)
InChIKeyJQBURKMFVQUPEI-UHFFFAOYSA-N
MW464.35 g/mol
LogP6.05
Rot. Bonds4

About N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide

N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide (PubChem CID 3625796) has the molecular formula C25H19Cl2N3O2 and a molecular weight of 464.35 g/mol. Its IUPAC name is N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
PubChem CID3625796
Molecular FormulaC25H19Cl2N3O2
Molecular Weight464.35 g/mol
Exact Mass463.09
IUPAC NameN,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1C1(C(=O)Nc2ccc(Cl)cc2)CC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2N3O2/c1-15-23(20-4-2-3-5-21(20)28-15)25(24(32)29-18-10-6-16(26)7-11-18)14-22(31)30(25)19-12-8-17(27)9-13-19/h2-13,28H,14H2,1H3,(H,29,32)
InChIKeyJQBURKMFVQUPEI-UHFFFAOYSA-N
XLogP6.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3251424
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3809536
1-(2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113211760
N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211833
N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3738849
N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211787
ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carbonyl]amino]benzoate
CID 3803032
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085802
N-(4-chlorophenyl)-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 9167362
N,1-bis(3-chlorophenyl)-2-(furan-2-yl)-4-oxoazetidine-2-carboxamide
CID 5190317
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 38715449

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide (CID 3625796) is N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide is Cc1[nH]c2ccccc2c1C1(C(=O)Nc2ccc(Cl)cc2)CC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide?
The InChIKey is JQBURKMFVQUPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O2/c1-15-23(20-4-2-3-5-21(20)28-15)25(24(32)29-18-10-6-16(26)7-11-18)14-22(31)30(25)19-12-8-17(27)9-13-19/h2-13,28H,14H2,1H3,(H,29,32).
What are the key properties of N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide?
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide has a molecular weight of 464.35 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3625796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).