N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C24H25FN2O2 — CID 78853610

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C24H25FN2O2/c1-17-21-8-4-5-9-22(21)24(29)27(17)16-23(28)26(20-6-2-3-7-20)15-14-18-10-12-19(25)13-11-18/h4-5,8-13,20H,1-3,6-7,14-16H2
InChIKeyMBNJGAWTYGDJIM-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.27
Rot. Bonds6

About N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 78853610) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID78853610
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C24H25FN2O2/c1-17-21-8-4-5-9-22(21)24(29)27(17)16-23(28)26(20-6-2-3-7-20)15-14-18-10-12-19(25)13-11-18/h4-5,8-13,20H,1-3,6-7,14-16H2
InChIKeyMBNJGAWTYGDJIM-UHFFFAOYSA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 24675695
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 71897909
N-cyclopentyl-2-(cyclopropylmethylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 119821530
N-cyclopropyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78813598
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 78853646
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 99668408
2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one
CID 64911476
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 78853803
4-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]butanoic acid
CID 119136436
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 78853629

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 78853610) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is MBNJGAWTYGDJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-17-21-8-4-5-9-22(21)24(29)27(17)16-23(28)26(20-6-2-3-7-20)15-14-18-10-12-19(25)13-11-18/h4-5,8-13,20H,1-3,6-7,14-16H2.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 392.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 78853610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).