2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide

C21H18ClNO4 — CID 23061635

IUPAC2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide
SMILESCOC(C(=O)Nc1ccccc1-c1ccc(O)c(O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4/c1-27-20(13-6-9-15(22)10-7-13)21(26)23-17-5-3-2-4-16(17)14-8-11-18(24)19(25)12-14/h2-12,20,24-25H,1H3,(H,23,26)
InChIKeyLJIQGNOUORPZPE-UHFFFAOYSA-N
MW383.83 g/mol
LogP4.74
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide

2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide (PubChem CID 23061635) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide
PubChem CID23061635
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide
SMILESCOC(C(=O)Nc1ccccc1-c1ccc(O)c(O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4/c1-27-20(13-6-9-15(22)10-7-13)21(26)23-17-5-3-2-4-16(17)14-8-11-18(24)19(25)12-14/h2-12,20,24-25H,1H3,(H,23,26)
InChIKeyLJIQGNOUORPZPE-UHFFFAOYSA-N
XLogP4.74
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 23061611
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid
CID 68875995
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 75846276
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide
CID 87962313
methyl 2-methyl-5-[2-(2-methylpropanoylamino)phenyl]benzoate
CID 141290773
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
(2R)-2-(3,5-dichlorophenoxy)-N-(2-phenylphenyl)propanamide
CID 7467157
N-(2-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099409
N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide
CID 56782949

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide (CID 23061635) is 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide is COC(C(=O)Nc1ccccc1-c1ccc(O)c(O)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide?
The InChIKey is LJIQGNOUORPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-27-20(13-6-9-15(22)10-7-13)21(26)23-17-5-3-2-4-16(17)14-8-11-18(24)19(25)12-14/h2-12,20,24-25H,1H3,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide?
2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide has a molecular weight of 383.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 23061635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).