N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide

C21H24FNO2 — CID 134013720

IUPACN-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C21H24FNO2/c1-15-7-8-16(2)20(13-15)25-12-11-21(24)23(18-9-10-18)14-17-5-3-4-6-19(17)22/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyVAODDEIHSCAJCF-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.40
Rot. Bonds7

About N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide

N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 134013720) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID134013720
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC NameN-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C21H24FNO2/c1-15-7-8-16(2)20(13-15)25-12-11-21(24)23(18-9-10-18)14-17-5-3-4-6-19(17)22/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyVAODDEIHSCAJCF-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
N-cyclopentyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133248727
3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 8501498
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
2-(4-chloro-3-methylphenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 55391124
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132763580

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide (CID 134013720) is N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide is Cc1ccc(C)c(OCCC(=O)N(Cc2ccccc2F)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is VAODDEIHSCAJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-15-7-8-16(2)20(13-15)25-12-11-21(24)23(18-9-10-18)14-17-5-3-4-6-19(17)22/h3-8,13,18H,9-12,14H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 341.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 134013720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).