(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C16H21FN2O2 — CID 97225832

IUPAC(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(OCCF)c1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C16H21FN2O2/c17-7-8-21-15-6-2-5-14(9-15)18-16(20)19-10-12-3-1-4-13(12)11-19/h2,5-6,9,12-13H,1,3-4,7-8,10-11H2,(H,18,20)/t12-,13-/m0/s1
InChIKeyCGEYTCHPKNHCOX-STQMWFEESA-N
MW292.35 g/mol
LogP3.30
Rot. Bonds4

About (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 97225832) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID97225832
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(OCCF)c1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C16H21FN2O2/c17-7-8-21-15-6-2-5-14(9-15)18-16(20)19-10-12-3-1-4-13(12)11-19/h2,5-6,9,12-13H,1,3-4,7-8,10-11H2,(H,18,20)/t12-,13-/m0/s1
InChIKeyCGEYTCHPKNHCOX-STQMWFEESA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124570047
(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124569986
N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
CID 130015965
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
(3aR,5R,6S,7aS)-5,6-dihydroxy-N-(3-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 72912891
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 97225832) is (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is O=C(Nc1cccc(OCCF)c1)N1C[C@@H]2CCC[C@H]2C1.
What is the InChIKey of (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is CGEYTCHPKNHCOX-STQMWFEESA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-7-8-21-15-6-2-5-14(9-15)18-16(20)19-10-12-3-1-4-13(12)11-19/h2,5-6,9,12-13H,1,3-4,7-8,10-11H2,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 97225832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).