N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide

C21H24Cl2N2O3 — CID 154747713

IUPACN'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NC(C)(C)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N2O3/c1-4-11-28-18-10-9-15(12-17(18)23)24-19(26)20(27)25-21(2,3)13-14-7-5-6-8-16(14)22/h5-10,12H,4,11,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHPEMBBXUGVGEDU-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.86
Rot. Bonds7

About N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide

N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide (PubChem CID 154747713) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide
PubChem CID154747713
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC NameN'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NC(C)(C)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N2O3/c1-4-11-28-18-10-9-15(12-17(18)23)24-19(26)20(27)25-21(2,3)13-14-7-5-6-8-16(14)22/h5-10,12H,4,11,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHPEMBBXUGVGEDU-UHFFFAOYSA-N
XLogP4.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide
CID 116676040
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356
1-(3-chloro-4-propoxyphenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111473934
3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077131
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286490

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide?
The IUPAC name of N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide (CID 154747713) is N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide.
What is the SMILES notation for N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide?
The canonical SMILES for N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)NC(C)(C)Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide?
The InChIKey is HPEMBBXUGVGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-4-11-28-18-10-9-15(12-17(18)23)24-19(26)20(27)25-21(2,3)13-14-7-5-6-8-16(14)22/h5-10,12H,4,11,13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide?
N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide has a molecular weight of 423.34 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide is sourced from PubChem (CID 154747713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).