N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide

C19H21F2NO2 — CID 110307321

IUPACN-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H21F2NO2/c1-14(13-15-5-2-3-6-18(15)21)19(23)22-11-4-12-24-17-9-7-16(20)8-10-17/h2-3,5-10,14H,4,11-13H2,1H3,(H,22,23)
InChIKeyXIDYRIYWDXSDOD-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.73
Rot. Bonds8

About N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide

N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 110307321) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
PubChem CID110307321
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H21F2NO2/c1-14(13-15-5-2-3-6-18(15)21)19(23)22-11-4-12-24-17-9-7-16(20)8-10-17/h2-3,5-10,14H,4,11-13H2,1H3,(H,22,23)
InChIKeyXIDYRIYWDXSDOD-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
CID 110627301
4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564910
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
(2S)-N-[4-(4-fluorophenoxy)butyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55935368
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butanamide
CID 22976427
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509329
2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide
CID 86866435

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide (CID 110307321) is N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide is CC(Cc1ccccc1F)C(=O)NCCCOc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is XIDYRIYWDXSDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-14(13-15-5-2-3-6-18(15)21)19(23)22-11-4-12-24-17-9-7-16(20)8-10-17/h2-3,5-10,14H,4,11-13H2,1H3,(H,22,23).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide?
N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 333.38 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 110307321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).