2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C19H20FN3O5 — CID 2551604

IUPAC2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20FN3O5/c1-2-22(12-18(24)21-11-14-7-9-15(20)10-8-14)19(25)13-28-17-6-4-3-5-16(17)23(26)27/h3-10H,2,11-13H2,1H3,(H,21,24)
InChIKeyBQCIJQCWUHUMFE-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.28
Rot. Bonds9

About 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2551604) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2551604
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20FN3O5/c1-2-22(12-18(24)21-11-14-7-9-15(20)10-8-14)19(25)13-28-17-6-4-3-5-16(17)23(26)27/h3-10H,2,11-13H2,1H3,(H,21,24)
InChIKeyBQCIJQCWUHUMFE-UHFFFAOYSA-N
XLogP2.28
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Mls002706796
CID 273306
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 1185801
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 164946774
1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 717250
N-(2-fluorophenyl)-2-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
CID 1455757
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
N-(1-cyanocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 8285101
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2946222
(2E)-N-[2-(4-fluorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 5292175
2-(2-Methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-phenethyl-acetamide
CID 650231

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 2551604) is 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BQCIJQCWUHUMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-2-22(12-18(24)21-11-14-7-9-15(20)10-8-14)19(25)13-28-17-6-4-3-5-16(17)23(26)27/h3-10H,2,11-13H2,1H3,(H,21,24).
What are the key properties of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2551604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).