2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide

C16H16FN3O3 — CID 39183990

IUPAC2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H16FN3O3/c17-11-6-7-13(14(8-11)20-15(21)9-18)19-16(22)10-23-12-4-2-1-3-5-12/h1-8H,9-10,18H2,(H,19,22)(H,20,21)
InChIKeySDBNEIACRFZXQH-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.74
Rot. Bonds6

About 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide

2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide (PubChem CID 39183990) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
PubChem CID39183990
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H16FN3O3/c17-11-6-7-13(14(8-11)20-15(21)9-18)19-16(22)10-23-12-4-2-1-3-5-12/h1-8H,9-10,18H2,(H,19,22)(H,20,21)
InChIKeySDBNEIACRFZXQH-UHFFFAOYSA-N
XLogP1.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
N-[2-(2-aminoacetyl)phenyl]-2-phenoxyacetamide
CID 170860834
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140459

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide (CID 39183990) is 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide is NCC(=O)Nc1cc(F)ccc1NC(=O)COc1ccccc1.
What is the InChIKey of 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide?
The InChIKey is SDBNEIACRFZXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-11-6-7-13(14(8-11)20-15(21)9-18)19-16(22)10-23-12-4-2-1-3-5-12/h1-8H,9-10,18H2,(H,19,22)(H,20,21).
What are the key properties of 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide?
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide has a molecular weight of 317.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 39183990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).