2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide

C13H18Cl2N2O2 — CID 82978834

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H18Cl2N2O2/c1-8(2)5-17(7-12(16)18)6-9-3-10(14)4-11(15)13(9)19/h3-4,8,19H,5-7H2,1-2H3,(H2,16,18)
InChIKeyNNNZTAZUMIVIHZ-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.64
Rot. Bonds6

About 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide

2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 82978834) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID82978834
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H18Cl2N2O2/c1-8(2)5-17(7-12(16)18)6-9-3-10(14)4-11(15)13(9)19/h3-4,8,19H,5-7H2,1-2H3,(H2,16,18)
InChIKeyNNNZTAZUMIVIHZ-UHFFFAOYSA-N
XLogP2.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 116518920
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978692
2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 55075613
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
2,4-dichloro-6-[[2-methoxypropyl(methyl)amino]methyl]phenol
CID 112754699
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79284823
2-[[2-(2-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036439
methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanoate
CID 60780743
2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide (CID 82978834) is 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is NNNZTAZUMIVIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-8(2)5-17(7-12(16)18)6-9-3-10(14)4-11(15)13(9)19/h3-4,8,19H,5-7H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide?
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 305.20 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 82978834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).