2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide

C23H19Cl2NO4 — CID 154646082

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C23H19Cl2NO4/c1-23(2,22(29)26-19-13-17(25)9-12-20(19)27)30-18-10-5-15(6-11-18)21(28)14-3-7-16(24)8-4-14/h3-13,27H,1-2H3,(H,26,29)
InChIKeyKXBGPNQIAKBEJU-UHFFFAOYSA-N
MW444.31 g/mol
LogP5.73
Rot. Bonds6

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide (PubChem CID 154646082) has the molecular formula C23H19Cl2NO4 and a molecular weight of 444.31 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
PubChem CID154646082
Molecular FormulaC23H19Cl2NO4
Molecular Weight444.31 g/mol
Exact Mass443.07
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C23H19Cl2NO4/c1-23(2,22(29)26-19-13-17(25)9-12-20(19)27)30-18-10-5-15(6-11-18)21(28)14-3-7-16(24)8-4-14/h3-13,27H,1-2H3,(H,26,29)
InChIKeyKXBGPNQIAKBEJU-UHFFFAOYSA-N
XLogP5.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.31
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764184
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
CID 28677113
N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide
CID 154646166
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 71499301
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
CID 1257164
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
CID 154646117
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide (CID 154646082) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide is CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide?
The InChIKey is KXBGPNQIAKBEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO4/c1-23(2,22(29)26-19-13-17(25)9-12-20(19)27)30-18-10-5-15(6-11-18)21(28)14-3-7-16(24)8-4-14/h3-13,27H,1-2H3,(H,26,29).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide has a molecular weight of 444.31 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 154646082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).