2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride

C17H20Cl2N2O2 — CID 139767883

IUPAC2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CNCc1ccc(OCc2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C17H19ClN2O2.ClH/c1-19-17(21)11-20-10-13-5-7-16(8-6-13)22-12-14-3-2-4-15(18)9-14;/h2-9,20H,10-12H2,1H3,(H,19,21);1H
InChIKeyICDCSMNLNHQFMB-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.18
Rot. Bonds7

About 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride

2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride (PubChem CID 139767883) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
PubChem CID139767883
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CNCc1ccc(OCc2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C17H19ClN2O2.ClH/c1-19-17(21)11-20-10-13-5-7-16(8-6-13)22-12-14-3-2-4-15(18)9-14;/h2-9,20H,10-12H2,1H3,(H,19,21);1H
InChIKeyICDCSMNLNHQFMB-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
CID 22421197
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
CID 66527554
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773673
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride (CID 139767883) is 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride is CNC(=O)CNCc1ccc(OCc2cccc(Cl)c2)cc1.Cl.
What is the InChIKey of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride?
The InChIKey is ICDCSMNLNHQFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2.ClH/c1-19-17(21)11-20-10-13-5-7-16(8-6-13)22-12-14-3-2-4-15(18)9-14;/h2-9,20H,10-12H2,1H3,(H,19,21);1H.
What are the key properties of 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride?
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 139767883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).