N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide

C22H26FNO2 — CID 70274491

IUPACN-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1C[C@H]1c1cccc(OCCc2ccccc2F)c1
InChIInChI=1S/C22H26FNO2/c1-2-6-22(25)24-15-18-14-20(18)17-8-5-9-19(13-17)26-12-11-16-7-3-4-10-21(16)23/h3-5,7-10,13,18,20H,2,6,11-12,14-15H2,1H3,(H,24,25)/t18-,20-/m0/s1
InChIKeyAXKYKNQYCKEIAX-ICSRJNTNSA-N
MW355.45 g/mol
LogP4.47
Rot. Bonds9

About N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide

N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide (PubChem CID 70274491) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide
PubChem CID70274491
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC NameN-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1C[C@H]1c1cccc(OCCc2ccccc2F)c1
InChIInChI=1S/C22H26FNO2/c1-2-6-22(25)24-15-18-14-20(18)17-8-5-9-19(13-17)26-12-11-16-7-3-4-10-21(16)23/h3-5,7-10,13,18,20H,2,6,11-12,14-15H2,1H3,(H,24,25)/t18-,20-/m0/s1
InChIKeyAXKYKNQYCKEIAX-ICSRJNTNSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide 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

N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide
CID 18659987
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932
N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
CID 110755454
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide
CID 18659979
1-[2-(chloromethyl)cyclopropyl]-3-propoxybenzene
CID 81358665
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
2-(2-fluorophenyl)-N-(4-propoxyphenyl)acetamide
CID 110493409
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
3-[3-(4-butoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 135871767
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide?
The IUPAC name of N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide (CID 70274491) is N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide.
What is the SMILES notation for N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide?
The canonical SMILES for N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide is CCCC(=O)NC[C@@H]1C[C@H]1c1cccc(OCCc2ccccc2F)c1.
What is the InChIKey of N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide?
The InChIKey is AXKYKNQYCKEIAX-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-2-6-22(25)24-15-18-14-20(18)17-8-5-9-19(13-17)26-12-11-16-7-3-4-10-21(16)23/h3-5,7-10,13,18,20H,2,6,11-12,14-15H2,1H3,(H,24,25)/t18-,20-/m0/s1.
What are the key properties of N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide?
N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide has a molecular weight of 355.45 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide is sourced from PubChem (CID 70274491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).