N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide

C16H17FN2O — CID 43458424

IUPACN-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(Cc1ccccc1N)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H17FN2O/c1-19(11-13-7-3-5-9-15(13)18)16(20)10-12-6-2-4-8-14(12)17/h2-9H,10-11,18H2,1H3
InChIKeyRIGYVCKDZFXCBR-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.61
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide

N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide (PubChem CID 43458424) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
PubChem CID43458424
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(Cc1ccccc1N)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H17FN2O/c1-19(11-13-7-3-5-9-15(13)18)16(20)10-12-6-2-4-8-14(12)17/h2-9H,10-11,18H2,1H3
InChIKeyRIGYVCKDZFXCBR-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.61
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

2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide (CID 43458424) is N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide is CN(Cc1ccccc1N)C(=O)Cc1ccccc1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
The InChIKey is RIGYVCKDZFXCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(11-13-7-3-5-9-15(13)18)16(20)10-12-6-2-4-8-14(12)17/h2-9H,10-11,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide has a molecular weight of 272.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 43458424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).