N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide

C15H16FN3O — CID 66417660

IUPACN-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccccc2N)ccc1F
InChIInChI=1S/C15H16FN3O/c1-10(20)19-15-8-12(6-7-13(15)16)18-9-11-4-2-3-5-14(11)17/h2-8,18H,9,17H2,1H3,(H,19,20)
InChIKeyJZAMLJRYRIXCLN-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.98
Rot. Bonds4

About N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide

N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide (PubChem CID 66417660) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
PubChem CID66417660
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccccc2N)ccc1F
InChIInChI=1S/C15H16FN3O/c1-10(20)19-15-8-12(6-7-13(15)16)18-9-11-4-2-3-5-14(11)17/h2-8,18H,9,17H2,1H3,(H,19,20)
InChIKeyJZAMLJRYRIXCLN-UHFFFAOYSA-N
XLogP2.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
CID 55039179
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide (CID 66417660) is N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCc2ccccc2N)ccc1F.
What is the InChIKey of N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide?
The InChIKey is JZAMLJRYRIXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(20)19-15-8-12(6-7-13(15)16)18-9-11-4-2-3-5-14(11)17/h2-8,18H,9,17H2,1H3,(H,19,20).
What are the key properties of N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide?
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 66417660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).