N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide

C22H26FN3O3 — CID 24589340

IUPACN-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide
SMILESCN(CCOc1ccc(F)cc1)CCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H26FN3O3/c1-26(14-15-29-18-10-6-16(23)7-11-18)13-12-21(27)25-20-5-3-2-4-19(20)22(28)24-17-8-9-17/h2-7,10-11,17H,8-9,12-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyNOPZHZAAKGJELX-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.06
Rot. Bonds10

About N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide

N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide (PubChem CID 24589340) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide
PubChem CID24589340
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide
SMILESCN(CCOc1ccc(F)cc1)CCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H26FN3O3/c1-26(14-15-29-18-10-6-16(23)7-11-18)13-12-21(27)25-20-5-3-2-4-19(20)22(28)24-17-8-9-17/h2-7,10-11,17H,8-9,12-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyNOPZHZAAKGJELX-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
CID 26906057
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide
CID 24589094
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251816

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide (CID 24589340) is N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide is CN(CCOc1ccc(F)cc1)CCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide?
The InChIKey is NOPZHZAAKGJELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-26(14-15-29-18-10-6-16(23)7-11-18)13-12-21(27)25-20-5-3-2-4-19(20)22(28)24-17-8-9-17/h2-7,10-11,17H,8-9,12-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide?
N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide is sourced from PubChem (CID 24589340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).