N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide

C15H14ClNO3 — CID 113199023

IUPACN-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c16-12-4-1-10(2-5-12)9-17-15(20)8-11-3-6-13(18)14(19)7-11/h1-7,18-19H,8-9H2,(H,17,20)
InChIKeyOJKZFGUKVMNPPK-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.61
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide

N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide (PubChem CID 113199023) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
PubChem CID113199023
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c16-12-4-1-10(2-5-12)9-17-15(20)8-11-3-6-13(18)14(19)7-11/h1-7,18-19H,8-9H2,(H,17,20)
InChIKeyOJKZFGUKVMNPPK-UHFFFAOYSA-N
XLogP2.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-chloro-N-(2-(4-hydroxyphenyl)ethyl)benzamide
CID 198234
3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide
CID 383150
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 2389630
Influenza virus-IN-1
CID 10470222
2-(3,4-dihydroxyphenyl)-N-octylacetamide
CID 13309825
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide
CID 10062685
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-acetamide
CID 383147
N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide
CID 383148
N-benzyl-2-(3-chloro-4-hydroxyphenyl)acetamide
CID 16221535
N-[2-(4-chlorophenyl)ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 44316350
4-[[6-[2-(4-Chlorophenyl)ethylamino]hexylamino]methyl]benzene-1,2-diol;hydrobromide
CID 44522475
2-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide
CID 122189956

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide (CID 113199023) is N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide is O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide?
The InChIKey is OJKZFGUKVMNPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-4-1-10(2-5-12)9-17-15(20)8-11-3-6-13(18)14(19)7-11/h1-7,18-19H,8-9H2,(H,17,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide has a molecular weight of 291.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 113199023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).