3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide

C18H20F2N2O2 — CID 120611597

IUPAC3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide
SMILESCc1ccc(OC(F)F)c(CNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C18H20F2N2O2/c1-12-6-8-16(24-18(19)20)14(10-12)11-22-17(23)9-7-13-4-2-3-5-15(13)21/h2-6,8,10,18H,7,9,11,21H2,1H3,(H,22,23)
InChIKeyMHJORUYLUPKUKV-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.43
Rot. Bonds7

About 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide

3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide (PubChem CID 120611597) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide
PubChem CID120611597
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide
SMILESCc1ccc(OC(F)F)c(CNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C18H20F2N2O2/c1-12-6-8-16(24-18(19)20)14(10-12)11-22-17(23)9-7-13-4-2-3-5-15(13)21/h2-6,8,10,18H,7,9,11,21H2,1H3,(H,22,23)
InChIKeyMHJORUYLUPKUKV-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
3-[[2-(difluoromethoxy)-5-methylphenyl]methylcarbamoylamino]propanoic acid
CID 122006016
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812552
3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide (CID 120611597) is 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide is Cc1ccc(OC(F)F)c(CNC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide?
The InChIKey is MHJORUYLUPKUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12-6-8-16(24-18(19)20)14(10-12)11-22-17(23)9-7-13-4-2-3-5-15(13)21/h2-6,8,10,18H,7,9,11,21H2,1H3,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide?
3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide has a molecular weight of 334.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide is sourced from PubChem (CID 120611597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).