methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

C23H24FNO3 — CID 77170111

IUPACmethyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)C1(c3ccccc3F)CCCC1)CC2
InChIInChI=1S/C23H24FNO3/c1-28-21(26)16-9-8-15-10-11-20(17(15)14-16)25-22(27)23(12-4-5-13-23)18-6-2-3-7-19(18)24/h2-3,6-9,14,20H,4-5,10-13H2,1H3,(H,25,27)
InChIKeyKGEZOHHCYXZLTL-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.23
Rot. Bonds4

About methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 77170111) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID77170111
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Namemethyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)C1(c3ccccc3F)CCCC1)CC2
InChIInChI=1S/C23H24FNO3/c1-28-21(26)16-9-8-15-10-11-20(17(15)14-16)25-22(27)23(12-4-5-13-23)18-6-2-3-7-19(18)24/h2-3,6-9,14,20H,4-5,10-13H2,1H3,(H,25,27)
InChIKeyKGEZOHHCYXZLTL-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117763452
US9670142, A97 2-fluoro-4'-[methyl-((1R,3S)-3-propionylamino-cyclopentyl)-carbamoyl]-biphenyl-4-carboxylic acid methyl ester
CID 117763543
(rac)-2-(1-{[1-(2,2,2-Trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-indan-5-yl)-benzoic acid methyl ester
CID 60142024
9-acetamido-9H-fluorene-2-carboxylic acid
CID 458554
Methyl 4-[[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]methyl]benzoate
CID 40217889
Methyl 2-(4-tert-butylphenyl)-2-[4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]acetate
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[4-(2-Fluoro-5-methylphenyl)-3-(propan-2-ylcarbamoyl)phenyl]methyl 2,2-dimethylpropanoate
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Methyl 2-[[(1S,3R)-3-amino-1-(1-methylethyl)cyclopentyl]carbonyl]-1,2,3,4-tetrahydro-7-(trifluoromethyl)-5-isoquinolinecarboxylate
CID 58784530
4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
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4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
CID 59165631
methyl (3R)-3-[(2-chloro-5-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59505189
(3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505271

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 77170111) is methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)C(NC(=O)C1(c3ccccc3F)CCCC1)CC2.
What is the InChIKey of methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is KGEZOHHCYXZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-28-21(26)16-9-8-15-10-11-20(17(15)14-16)25-22(27)23(12-4-5-13-23)18-6-2-3-7-19(18)24/h2-3,6-9,14,20H,4-5,10-13H2,1H3,(H,25,27).
What are the key properties of methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 77170111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).