2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide

C16H16F2N2O — CID 62498032

IUPAC2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H16F2N2O/c1-20(10-12-5-6-14(17)15(18)8-12)16(21)9-11-3-2-4-13(19)7-11/h2-8H,9-10,19H2,1H3
InChIKeyXOQSEMGZRPBTAQ-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide

2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide (PubChem CID 62498032) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
PubChem CID62498032
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H16F2N2O/c1-20(10-12-5-6-14(17)15(18)8-12)16(21)9-11-3-2-4-13(19)7-11/h2-8H,9-10,19H2,1H3
InChIKeyXOQSEMGZRPBTAQ-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.75
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

N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
N-(5-aminopentyl)-2-(3,4-difluorophenyl)-N-methylacetamide
CID 107206768
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 79473671

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide (CID 62498032) is 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The InChIKey is XOQSEMGZRPBTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-20(10-12-5-6-14(17)15(18)8-12)16(21)9-11-3-2-4-13(19)7-11/h2-8H,9-10,19H2,1H3.
What are the key properties of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide has a molecular weight of 290.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 62498032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).