N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C12H17ClF2N2O3 — CID 119676558

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C12H16F2N2O3.ClH/c1-18-7-6-15-8-11(17)16-9-2-4-10(5-3-9)19-12(13)14;/h2-5,12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeyFHNRWSBVMSSTJZ-UHFFFAOYSA-N
MW310.73 g/mol
LogP1.88
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119676558) has the molecular formula C12H17ClF2N2O3 and a molecular weight of 310.73 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119676558
Molecular FormulaC12H17ClF2N2O3
Molecular Weight310.73 g/mol
Exact Mass310.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C12H16F2N2O3.ClH/c1-18-7-6-15-8-11(17)16-9-2-4-10(5-3-9)19-12(13)14;/h2-5,12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeyFHNRWSBVMSSTJZ-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119669013
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
2-(3-methoxypropylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829052
2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281170
N-[4-(3,5-dimethylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119741341
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119676558) is N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is FHNRWSBVMSSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3.ClH/c1-18-7-6-15-8-11(17)16-9-2-4-10(5-3-9)19-12(13)14;/h2-5,12,15H,6-8H2,1H3,(H,16,17);1H.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 310.73 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119676558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).