2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide

C24H21ClN2O2 — CID 3809536

IUPAC2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3Cl)CC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-16-7-11-18(12-8-16)26-23(29)24(20-5-3-4-6-21(20)25)15-22(28)27(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyAHLOXCJMBSNUES-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.23
Rot. Bonds4

About 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide

2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide (PubChem CID 3809536) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
PubChem CID3809536
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3Cl)CC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-16-7-11-18(12-8-16)26-23(29)24(20-5-3-4-6-21(20)25)15-22(28)27(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyAHLOXCJMBSNUES-UHFFFAOYSA-N
XLogP5.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3729921
2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3251424
N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3837519
ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carbonyl]amino]benzoate
CID 3803032
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
1-N'-(2-chlorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980864
N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3738849
(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 7693230
1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methyl-3-(4-methylphenyl)thiourea
CID 23933608
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
N,1-bis(2-fluorophenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3582201

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide (CID 3809536) is 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3Cl)CC(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The InChIKey is AHLOXCJMBSNUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-16-7-11-18(12-8-16)26-23(29)24(20-5-3-4-6-21(20)25)15-22(28)27(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3809536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).