N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide

C26H26Cl3NO2 — CID 10195774

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-14-12-22(29)13-15-23)24(19-6-10-21(28)11-7-19)16-18-4-8-20(27)9-5-18/h4-15,17,24H,16H2,1-3H3,(H,30,31)
InChIKeyHAMLZAXSMZZNHH-UHFFFAOYSA-N
MW490.86 g/mol
LogP7.34
Rot. Bonds8

About N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 10195774) has the molecular formula C26H26Cl3NO2 and a molecular weight of 490.86 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID10195774
Molecular FormulaC26H26Cl3NO2
Molecular Weight490.86 g/mol
Exact Mass489.10
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-14-12-22(29)13-15-23)24(19-6-10-21(28)11-7-19)16-18-4-8-20(27)9-5-18/h4-15,17,24H,16H2,1-3H3,(H,30,31)
InChIKeyHAMLZAXSMZZNHH-UHFFFAOYSA-N
XLogP7.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
N-[3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-(4-chlorophenyloxy)-2-methylpropanamide
CID 9868656
2-(3-chlorophenoxy)-N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 10288440
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-difluorophenoxy)-2-methylpropanamide
CID 10288473
N-((2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl)-2-(3,5-difluorophenoxy)-2-methylpropanamide
CID 16098381
2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide
CID 2933095
2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide
CID 3676549
(1R,2R)-N-[2,3-bis(4-chlorophenyl)-1-methylpropyl]-2-(4-chlorophenyloxy)-2-methylpropanamide
CID 16098312
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 16098313
N-[(1R,2R)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-(5-chloropyridyloxy)-2-methylpropanamide
CID 16098324
2-(4-chlorophenoxy)-N-[(2R,3R)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 16098325
N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-(3-chlorophenyloxy)-2-methylpropanamide
CID 16098334

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 10195774) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide is CC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is HAMLZAXSMZZNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-14-12-22(29)13-15-23)24(19-6-10-21(28)11-7-19)16-18-4-8-20(27)9-5-18/h4-15,17,24H,16H2,1-3H3,(H,30,31).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 490.86 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 10195774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).