N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide

C11H14Cl2N2O2 — CID 28684903

IUPACN-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H14Cl2N2O2/c1-7(16)15-3-2-14-6-8-4-9(12)5-10(13)11(8)17/h4-5,14,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyNRSAUPYRDGPSLY-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.92
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide

N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide (PubChem CID 28684903) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
PubChem CID28684903
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC NameN-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H14Cl2N2O2/c1-7(16)15-3-2-14-6-8-4-9(12)5-10(13)11(8)17/h4-5,14,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyNRSAUPYRDGPSLY-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
CID 43553259
2,5-dichloro-3-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 134097048
2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide
CID 16775959
N-[2-[(5-chloro-2-nitrophenyl)methylamino]ethyl]acetamide
CID 78998670
tert-butyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetate
CID 81462864
2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol
CID 115702594
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
CID 29286269
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide (CID 28684903) is N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
The InChIKey is NRSAUPYRDGPSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-7(16)15-3-2-14-6-8-4-9(12)5-10(13)11(8)17/h4-5,14,17H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide has a molecular weight of 277.15 g/mol, XLogP of 1.92, 5 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-2-hydroxyphenyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 28684903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).