N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide

C18H20FN3O4 — CID 55907894

IUPACN-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
SMILESCN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F
InChIInChI=1S/C18H20FN3O4/c1-21(17-6-3-2-5-16(17)19)12-4-11-20-18(23)13-26-15-9-7-14(8-10-15)22(24)25/h2-3,5-10H,4,11-13H2,1H3,(H,20,23)
InChIKeyFKZLTXFTAGZZEB-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.76
Rot. Bonds9

About N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide

N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 55907894) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
PubChem CID55907894
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
SMILESCN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F
InChIInChI=1S/C18H20FN3O4/c1-21(17-6-3-2-5-16(17)19)12-4-11-20-18(23)13-26-15-9-7-14(8-10-15)22(24)25/h2-3,5-10H,4,11-13H2,1H3,(H,20,23)
InChIKeyFKZLTXFTAGZZEB-UHFFFAOYSA-N
XLogP2.76
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 55908417
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide (CID 55907894) is N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide is CN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1F.
What is the InChIKey of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is FKZLTXFTAGZZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-21(17-6-3-2-5-16(17)19)12-4-11-20-18(23)13-26-15-9-7-14(8-10-15)22(24)25/h2-3,5-10H,4,11-13H2,1H3,(H,20,23).
What are the key properties of N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 361.37 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 55907894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).