N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide

C17H18FN3O3 — CID 39183994

IUPACN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C17H18FN3O3/c18-12-6-7-14(15(10-12)21-17(23)11-19)20-16(22)8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11,19H2,(H,20,22)(H,21,23)
InChIKeyWGNPDBNQLUVVKA-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.13
Rot. Bonds7

About N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide (PubChem CID 39183994) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
PubChem CID39183994
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C17H18FN3O3/c18-12-6-7-14(15(10-12)21-17(23)11-19)20-16(22)8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11,19H2,(H,20,22)(H,21,23)
InChIKeyWGNPDBNQLUVVKA-UHFFFAOYSA-N
XLogP2.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 113092711
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide (CID 39183994) is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide is NCC(=O)Nc1cc(F)ccc1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide?
The InChIKey is WGNPDBNQLUVVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-6-7-14(15(10-12)21-17(23)11-19)20-16(22)8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide?
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide has a molecular weight of 331.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide is sourced from PubChem (CID 39183994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).