N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide

C20H22FNO2 — CID 78845257

IUPACN-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C20H22FNO2/c1-20(2,24-18-12-8-16(21)9-13-18)19(23)22(17-10-11-17)14-15-6-4-3-5-7-15/h3-9,12-13,17H,10-11,14H2,1-2H3
InChIKeyWERSGTFQYKWZAE-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.17
Rot. Bonds6

About N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide

N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide (PubChem CID 78845257) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide
PubChem CID78845257
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C20H22FNO2/c1-20(2,24-18-12-8-16(21)9-13-18)19(23)22(17-10-11-17)14-15-6-4-3-5-7-15/h3-9,12-13,17H,10-11,14H2,1-2H3
InChIKeyWERSGTFQYKWZAE-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide 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-cyclopropyl-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 78813870
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 62836250
N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86927380
2-(4-fluorophenoxy)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 78800718
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 107471215
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 60936843
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide (CID 78845257) is N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide?
The InChIKey is WERSGTFQYKWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-20(2,24-18-12-8-16(21)9-13-18)19(23)22(17-10-11-17)14-15-6-4-3-5-7-15/h3-9,12-13,17H,10-11,14H2,1-2H3.
What are the key properties of N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide?
N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide has a molecular weight of 327.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-(4-fluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 78845257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).