2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide

C16H18FN3O — CID 43461380

IUPAC2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O/c17-14-7-3-1-5-12(14)9-20(11-16(19)21)10-13-6-2-4-8-15(13)18/h1-8H,9-11,18H2,(H2,19,21)
InChIKeyPFCXDNZBGMINIR-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.90
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide

2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 43461380) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID43461380
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O/c17-14-7-3-1-5-12(14)9-20(11-16(19)21)10-13-6-2-4-8-15(13)18/h1-8H,9-11,18H2,(H2,19,21)
InChIKeyPFCXDNZBGMINIR-UHFFFAOYSA-N
XLogP1.90
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide
CID 43461333
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(2-aminophenyl)methyl-[(3-chlorophenyl)methyl]amino]acetamide
CID 43461381
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
2-amino-6-[[bis(2-amino-2-oxoethyl)amino]methyl]benzoic acid
CID 104824645
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
CID 103103060
2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253080
2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
CID 61311799

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 43461380) is 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide is NC(=O)CN(Cc1ccccc1N)Cc1ccccc1F.
What is the InChIKey of 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is PFCXDNZBGMINIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-7-3-1-5-12(14)9-20(11-16(19)21)10-13-6-2-4-8-15(13)18/h1-8H,9-11,18H2,(H2,19,21).
What are the key properties of 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide?
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 287.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 43461380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).