N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride

C13H19ClF2N2O3 — CID 119716002

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOc1cc(CNC(=O)CNC)ccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O3.ClH/c1-3-19-11-6-9(7-17-12(18)8-16-2)4-5-10(11)20-13(14)15;/h4-6,13,16H,3,7-8H2,1-2H3,(H,17,18);1H
InChIKeyDMBHRLBNAYRFHX-UHFFFAOYSA-N
MW324.76 g/mol
LogP1.94
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119716002) has the molecular formula C13H19ClF2N2O3 and a molecular weight of 324.76 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119716002
Molecular FormulaC13H19ClF2N2O3
Molecular Weight324.76 g/mol
Exact Mass324.11
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCOc1cc(CNC(=O)CNC)ccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O3.ClH/c1-3-19-11-6-9(7-17-12(18)8-16-2)4-5-10(11)20-13(14)15;/h4-6,13,16H,3,7-8H2,1-2H3,(H,17,18);1H
InChIKeyDMBHRLBNAYRFHX-UHFFFAOYSA-N
XLogP1.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide
CID 120588442
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24553274
3-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 120509977
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride (CID 119716002) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride is CCOc1cc(CNC(=O)CNC)ccc1OC(F)F.Cl.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is DMBHRLBNAYRFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3.ClH/c1-3-19-11-6-9(7-17-12(18)8-16-2)4-5-10(11)20-13(14)15;/h4-6,13,16H,3,7-8H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 324.76 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119716002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).