2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide

C16H17FN2O — CID 70572290

IUPAC2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(F)cc2)c1)C(=O)CN
InChIInChI=1S/C16H17FN2O/c1-19(16(20)10-18)11-12-3-2-4-14(9-12)13-5-7-15(17)8-6-13/h2-9H,10-11,18H2,1H3
InChIKeyBTARNNPENVQLRR-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide

2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide (PubChem CID 70572290) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
PubChem CID70572290
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(F)cc2)c1)C(=O)CN
InChIInChI=1S/C16H17FN2O/c1-19(16(20)10-18)11-12-3-2-4-14(9-12)13-5-7-15(17)8-6-13/h2-9H,10-11,18H2,1H3
InChIKeyBTARNNPENVQLRR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
CID 70572253
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide
CID 70573736
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
CID 161031506
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 70584009
2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572392
2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572134
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide (CID 70572290) is 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide is CN(Cc1cccc(-c2ccc(F)cc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide?
The InChIKey is BTARNNPENVQLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(16(20)10-18)11-12-3-2-4-14(9-12)13-5-7-15(17)8-6-13/h2-9H,10-11,18H2,1H3.
What are the key properties of 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide?
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide has a molecular weight of 272.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).