N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide

C22H26FN3O2 — CID 55837800

IUPACN-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-3-26(15(2)16-8-10-17(23)11-9-16)14-21(27)25-20-7-5-4-6-19(20)22(28)24-18-12-13-18/h4-11,15,18H,3,12-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyURPUBLPHHIQYAC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.74
Rot. Bonds8

About N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide (PubChem CID 55837800) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
PubChem CID55837800
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-3-26(15(2)16-8-10-17(23)11-9-16)14-21(27)25-20-7-5-4-6-19(20)22(28)24-18-12-13-18/h4-11,15,18H,3,12-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyURPUBLPHHIQYAC-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide 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

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251816
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376014
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
CID 60537204
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8897970
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide (CID 55837800) is N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide is CCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is URPUBLPHHIQYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-3-26(15(2)16-8-10-17(23)11-9-16)14-21(27)25-20-7-5-4-6-19(20)22(28)24-18-12-13-18/h4-11,15,18H,3,12-14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 55837800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).