N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C15H17FN2O4 — CID 29469200

IUPACN-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NC(C1CC1)C1CC1
InChIInChI=1S/C15H17FN2O4/c16-11-5-6-12(18(20)21)13(7-11)22-8-14(19)17-15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2,(H,17,19)
InChIKeyVGTSFILZCVHTTE-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.42
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 29469200) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID29469200
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC NameN-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NC(C1CC1)C1CC1
InChIInChI=1S/C15H17FN2O4/c16-11-5-6-12(18(20)21)13(7-11)22-8-14(19)17-15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2,(H,17,19)
InChIKeyVGTSFILZCVHTTE-UHFFFAOYSA-N
XLogP2.42
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
2-(5-fluoro-2-nitrophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 78484094
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7438328
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8520569
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846282
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 29469200) is N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is VGTSFILZCVHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-11-5-6-12(18(20)21)13(7-11)22-8-14(19)17-15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2,(H,17,19).
What are the key properties of N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 308.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 29469200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).