N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide

C16H17ClN2O2 — CID 60972560

IUPACN-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cc(Cl)ccc1O)NCc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-14-6-7-15(20)13(8-14)10-18-11-16(21)19-9-12-4-2-1-3-5-12/h1-8,18,20H,9-11H2,(H,19,21)
InChIKeyDKKJFVLNRJIZSF-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.45
Rot. Bonds6

About N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide

N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide (PubChem CID 60972560) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
PubChem CID60972560
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cc(Cl)ccc1O)NCc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-14-6-7-15(20)13(8-14)10-18-11-16(21)19-9-12-4-2-1-3-5-12/h1-8,18,20H,9-11H2,(H,19,21)
InChIKeyDKKJFVLNRJIZSF-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.45
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

N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 103948345
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
CID 61317882
2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113229720
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
3-[(5-chloro-2-hydroxyphenyl)methylamino]propanoic acid
CID 43139894
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide (CID 60972560) is N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide is O=C(CNCc1cc(Cl)ccc1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide?
The InChIKey is DKKJFVLNRJIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-6-7-15(20)13(8-14)10-18-11-16(21)19-9-12-4-2-1-3-5-12/h1-8,18,20H,9-11H2,(H,19,21).
What are the key properties of N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide?
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide has a molecular weight of 304.78 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide is sourced from PubChem (CID 60972560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).