3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride

C18H21ClF2N2O — CID 120608510

IUPAC3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-12(14-7-9-15(19)16(20)11-14)22(2)18(23)10-8-13-5-3-4-6-17(13)21;/h3-7,9,11-12H,8,10,21H2,1-2H3;1H
InChIKeyVWNNIQISBMQAQV-UHFFFAOYSA-N
MW354.83 g/mol
LogP4.12
Rot. Bonds5

About 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride

3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride (PubChem CID 120608510) has the molecular formula C18H21ClF2N2O and a molecular weight of 354.83 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
PubChem CID120608510
Molecular FormulaC18H21ClF2N2O
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-12(14-7-9-15(19)16(20)11-14)22(2)18(23)10-8-13-5-3-4-6-17(13)21;/h3-7,9,11-12H,8,10,21H2,1-2H3;1H
InChIKeyVWNNIQISBMQAQV-UHFFFAOYSA-N
XLogP4.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide
CID 55832375
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120609150
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31163413
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 80542917
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride (CID 120608510) is 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride is CC(c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The InChIKey is VWNNIQISBMQAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O.ClH/c1-12(14-7-9-15(19)16(20)11-14)22(2)18(23)10-8-13-5-3-4-6-17(13)21;/h3-7,9,11-12H,8,10,21H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120608510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).