[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C21H28FNO3 — CID 23932612

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CCCCCC1
InChIInChI=1S/C21H28FNO3/c22-18-12-6-5-11-17(18)21(13-7-8-14-21)20(25)26-15-19(24)23-16-9-3-1-2-4-10-16/h5-6,11-12,16H,1-4,7-10,13-15H2,(H,23,24)
InChIKeyXACDTUVRVRDFTI-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.02
Rot. Bonds5

About [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 23932612) has the molecular formula C21H28FNO3 and a molecular weight of 361.46 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID23932612
Molecular FormulaC21H28FNO3
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CCCCCC1
InChIInChI=1S/C21H28FNO3/c22-18-12-6-5-11-17(18)21(13-7-8-14-21)20(25)26-15-19(24)23-16-9-3-1-2-4-10-16/h5-6,11-12,16H,1-4,7-10,13-15H2,(H,23,24)
InChIKeyXACDTUVRVRDFTI-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548
(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2352376
[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2353380
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 16526158
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
[2-(4-nitroanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661574
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661547
[2-(2-bromophenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23853345
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 18777490
N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
CID 115955712

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 23932612) is [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is XACDTUVRVRDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO3/c22-18-12-6-5-11-17(18)21(13-7-8-14-21)20(25)26-15-19(24)23-16-9-3-1-2-4-10-16/h5-6,11-12,16H,1-4,7-10,13-15H2,(H,23,24).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 23932612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).