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

C9H10Cl2N2O2 — CID 16775959

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide
SMILESNC(=O)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2N2O2/c10-6-1-5(3-13-4-8(12)14)9(15)7(11)2-6/h1-2,13,15H,3-4H2,(H2,12,14)
InChIKeyPCHZSVPAGYECEH-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.27
Rot. Bonds4

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

2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide (PubChem CID 16775959) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide
PubChem CID16775959
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide
SMILESNC(=O)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2N2O2/c10-6-1-5(3-13-4-8(12)14)9(15)7(11)2-6/h1-2,13,15H,3-4H2,(H2,12,14)
InChIKeyPCHZSVPAGYECEH-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
CID 43553259
2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol
CID 115702594
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
tert-butyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetate
CID 81462864
N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 28684903
methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanoate
CID 60780743
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
2,5-dichloro-3-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 134097048
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2,4-dichloro-6-[[(3-hydroxycyclobutyl)methylamino]methyl]phenol
CID 66004538
2-[[2-(2-chlorophenyl)phenyl]methylamino]acetamide
CID 19105319
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide (CID 16775959) is 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide is NC(=O)CNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide?
The InChIKey is PCHZSVPAGYECEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c10-6-1-5(3-13-4-8(12)14)9(15)7(11)2-6/h1-2,13,15H,3-4H2,(H2,12,14).
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide?
2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide has a molecular weight of 249.10 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide is sourced from PubChem (CID 16775959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).