N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C17H19FN2O2 — CID 90495847

IUPACN-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(C(=O)COc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H19FN2O2/c1-19-10-2-3-15(19)11-20(14-6-7-14)17(21)12-22-16-8-4-13(18)5-9-16/h2-5,8-10,14H,6-7,11-12H2,1H3
InChIKeyZRGQYCGUWVYARU-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.73
Rot. Bonds6

About N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 90495847) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID90495847
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(C(=O)COc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H19FN2O2/c1-19-10-2-3-15(19)11-20(14-6-7-14)17(21)12-22-16-8-4-13(18)5-9-16/h2-5,8-10,14H,6-7,11-12H2,1H3
InChIKeyZRGQYCGUWVYARU-UHFFFAOYSA-N
XLogP2.73
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 90495843
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3902809
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide
CID 1057094
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4237806
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 42767866
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057735
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529
N-cyclohexyl-2-[ethyl-(2-phenoxyacetyl)amino]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 3609787
2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7482382
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 1199064

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 90495847) is N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CN(C(=O)COc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is ZRGQYCGUWVYARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-19-10-2-3-15(19)11-20(14-6-7-14)17(21)12-22-16-8-4-13(18)5-9-16/h2-5,8-10,14H,6-7,11-12H2,1H3.
What are the key properties of N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 90495847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).