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

C25H23F2NO2 — CID 11960135

IUPACN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide
SMILESO=C(c1ccccc1-c1cccc(F)c1)N(CCCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C25H23F2NO2/c26-19-9-13-22(14-10-19)30-16-4-15-28(21-11-12-21)25(29)24-8-2-1-7-23(24)18-5-3-6-20(27)17-18/h1-3,5-10,13-14,17,21H,4,11-12,15-16H2
InChIKeyMWKAZKPYPBORRI-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.71
Rot. Bonds8

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

N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide (PubChem CID 11960135) has the molecular formula C25H23F2NO2 and a molecular weight of 407.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide
PubChem CID11960135
Molecular FormulaC25H23F2NO2
Molecular Weight407.46 g/mol
Exact Mass407.17
IUPAC NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide
SMILESO=C(c1ccccc1-c1cccc(F)c1)N(CCCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C25H23F2NO2/c26-19-9-13-22(14-10-19)30-16-4-15-28(21-11-12-21)25(29)24-8-2-1-7-23(24)18-5-3-6-20(27)17-18/h1-3,5-10,13-14,17,21H,4,11-12,15-16H2
InChIKeyMWKAZKPYPBORRI-UHFFFAOYSA-N
XLogP5.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
CID 46867466
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
(S)-3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
CID 56655502
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N,N-diethylbenzamide
CID 44275619
Biphenyl-4-carboxylic acid (2,2-dimethyl-2H-chromen-8-ylmethyl)-isopropyl-amide
CID 44403670
[(2S)-2-[2-(2,4-difluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 56683774
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]isoquinolin-1-one
CID 57393207
(2,6-Difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 2747477
2-(3-Phenoxypropyl)isoindoline-1,3-dione
CID 249759
N-(2,4-difluorobenzyl)-2'-((2-(4-methoxyphenyl)acetamido)methyl)-[1,1'-biphenyl]-2-carboxamide
CID 9827303
4-[3-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide
CID 14407137

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide (CID 11960135) is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide is O=C(c1ccccc1-c1cccc(F)c1)N(CCCOc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
The InChIKey is MWKAZKPYPBORRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO2/c26-19-9-13-22(14-10-19)30-16-4-15-28(21-11-12-21)25(29)24-8-2-1-7-23(24)18-5-3-6-20(27)17-18/h1-3,5-10,13-14,17,21H,4,11-12,15-16H2.
What are the key properties of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide has a molecular weight of 407.46 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide is sourced from PubChem (CID 11960135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).