N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride

C9H11ClF2N2O — CID 50988525

IUPACN-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C9H10F2N2O.ClH/c1-12-5-9(14)13-8-3-6(10)2-7(11)4-8;/h2-4,12H,5H2,1H3,(H,13,14);1H
InChIKeyWZCITUBVMIIFIF-UHFFFAOYSA-N
MW236.65 g/mol
LogP1.54
Rot. Bonds3

About N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride

N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 50988525) has the molecular formula C9H11ClF2N2O and a molecular weight of 236.65 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID50988525
Molecular FormulaC9H11ClF2N2O
Molecular Weight236.65 g/mol
Exact Mass236.05
IUPAC NameN-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C9H10F2N2O.ClH/c1-12-5-9(14)13-8-3-6(10)2-7(11)4-8;/h2-4,12H,5H2,1H3,(H,13,14);1H
InChIKeyWZCITUBVMIIFIF-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
N-(3,5-difluorophenyl)butanamide
CID 17271988
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
N-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958059
2-(ethylamino)-N-(3-fluoro-5-methylphenyl)acetamide
CID 79049951
N-[3,5-bis(methoxymethyl)phenyl]-2-(methylamino)acetamide
CID 145028711
2-(cyclopentylamino)-N-(3,5-difluorophenyl)acetamide
CID 60703396
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride (CID 50988525) is N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1cc(F)cc(F)c1.Cl.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is WZCITUBVMIIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O.ClH/c1-12-5-9(14)13-8-3-6(10)2-7(11)4-8;/h2-4,12H,5H2,1H3,(H,13,14);1H.
What are the key properties of N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride?
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 236.65 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 50988525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).