2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide

C22H21FN2O — CID 18124307

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
SMILESCN(Cc1ccccc1F)C(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O/c1-25(16-18-12-8-9-15-20(18)23)21(17-10-4-2-5-11-17)22(26)24-19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,26)
InChIKeyWQHJFJZAOXBOBJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.64
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide

2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide (PubChem CID 18124307) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
PubChem CID18124307
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
SMILESCN(Cc1ccccc1F)C(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O/c1-25(16-18-12-8-9-15-20(18)23)21(17-10-4-2-5-11-17)22(26)24-19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,26)
InChIKeyWQHJFJZAOXBOBJ-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2689336
N-(3-acetylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 55351492
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
2-(diethylamino)-N-[(2-fluorophenyl)methyl]-N-methyl-2-phenylacetamide
CID 56545318
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-N,2-diphenylacetamide
CID 112804241
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 9049752

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide (CID 18124307) is 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide is CN(Cc1ccccc1F)C(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide?
The InChIKey is WQHJFJZAOXBOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-25(16-18-12-8-9-15-20(18)23)21(17-10-4-2-5-11-17)22(26)24-19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,26).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide?
2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide has a molecular weight of 348.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 18124307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).