2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide

C16H17ClN2O2 — CID 43277899

IUPAC2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
SMILESCNCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-18-10-12-9-13(17)7-8-15(12)21-11-16(20)19-14-5-3-2-4-6-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyQJGNLHLBBJIWKG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.08
Rot. Bonds6

About 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide (PubChem CID 43277899) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
PubChem CID43277899
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
SMILESCNCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-18-10-12-9-13(17)7-8-15(12)21-11-16(20)19-14-5-3-2-4-6-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyQJGNLHLBBJIWKG-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072
2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 33482790
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
CID 114322295
2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51996467
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492473
2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539842
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide (CID 43277899) is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide is CNCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide?
The InChIKey is QJGNLHLBBJIWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-18-10-12-9-13(17)7-8-15(12)21-11-16(20)19-14-5-3-2-4-6-14/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide?
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide has a molecular weight of 304.78 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 43277899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).