N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide

C15H14Cl2N2O2 — CID 107679126

IUPACN-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-9(20)19-14-5-3-2-4-10(14)8-18-11-6-12(16)15(21)13(17)7-11/h2-7,18,21H,8H2,1H3,(H,19,20)
InChIKeyLPKBJLRSNNOQBB-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.27
Rot. Bonds4

About N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide

N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide (PubChem CID 107679126) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
PubChem CID107679126
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-9(20)19-14-5-3-2-4-10(14)8-18-11-6-12(16)15(21)13(17)7-11/h2-7,18,21H,8H2,1H3,(H,19,20)
InChIKeyLPKBJLRSNNOQBB-UHFFFAOYSA-N
XLogP4.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4,5-trichloroanilino)methyl]phenyl]acetamide
CID 66387225
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-[(2,5-dichloroanilino)methyl]phenyl]acetamide
CID 66387224
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[(4-chloro-2-fluoroanilino)methyl]phenyl]acetamide
CID 66387469
N-[2-[(3-ethylanilino)methyl]phenyl]acetamide
CID 66386234
N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide
CID 107631977
N-[2-[(2-bromo-5-chloroanilino)methyl]phenyl]acetamide
CID 81264520
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide (CID 107679126) is N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide?
The InChIKey is LPKBJLRSNNOQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9(20)19-14-5-3-2-4-10(14)8-18-11-6-12(16)15(21)13(17)7-11/h2-7,18,21H,8H2,1H3,(H,19,20).
What are the key properties of N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide?
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide has a molecular weight of 325.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 107679126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).