N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide

C19H21ClN2O2 — CID 108511864

IUPACN-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-4-12(2)15-7-5-6-8-16(15)21-18(23)19(24)22-17-11-14(20)10-9-13(17)3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZLTNDOYUYHUWSA-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.74
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide

N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide (PubChem CID 108511864) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
PubChem CID108511864
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-4-12(2)15-7-5-6-8-16(15)21-18(23)19(24)22-17-11-14(20)10-9-13(17)3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZLTNDOYUYHUWSA-UHFFFAOYSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780428
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 4937449
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509668
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
CID 108532602
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506189

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide (CID 108511864) is N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide is CCC(C)c1ccccc1NC(=O)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
The InChIKey is ZLTNDOYUYHUWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-4-12(2)15-7-5-6-8-16(15)21-18(23)19(24)22-17-11-14(20)10-9-13(17)3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide has a molecular weight of 344.84 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide is sourced from PubChem (CID 108511864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).