(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide

C20H27ClFN3O — CID 99799120

IUPAC(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCCN1C1CC1
InChIInChI=1S/C20H27ClFN3O/c21-15-5-3-6-16(22)19(15)18(24-10-1-2-11-24)13-23-20(26)17-7-4-12-25(17)14-8-9-14/h3,5-6,14,17-18H,1-2,4,7-13H2,(H,23,26)/t17-,18+/m1/s1
InChIKeyICACSGIKIKKWSI-MSOLQXFVSA-N
MW379.91 g/mol
LogP3.36
Rot. Bonds6

About (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide

(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 99799120) has the molecular formula C20H27ClFN3O and a molecular weight of 379.91 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide
PubChem CID99799120
Molecular FormulaC20H27ClFN3O
Molecular Weight379.91 g/mol
Exact Mass379.18
IUPAC Name(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCCN1C1CC1
InChIInChI=1S/C20H27ClFN3O/c21-15-5-3-6-16(22)19(15)18(24-10-1-2-11-24)13-23-20(26)17-7-4-12-25(17)14-8-9-14/h3,5-6,14,17-18H,1-2,4,7-13H2,(H,23,26)/t17-,18+/m1/s1
InChIKeyICACSGIKIKKWSI-MSOLQXFVSA-N
XLogP3.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 119849434
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506848
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
(3R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124726723
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluorobenzamide
CID 112506853
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]cyclopentanesulfonamide
CID 110304294
1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 110621560
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 39103122
1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111143472
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 55674795
4-[[[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030279
2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623998

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide (CID 99799120) is (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide is O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCCN1C1CC1.
What is the InChIKey of (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is ICACSGIKIKKWSI-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H27ClFN3O/c21-15-5-3-6-16(22)19(15)18(24-10-1-2-11-24)13-23-20(26)17-7-4-12-25(17)14-8-9-14/h3,5-6,14,17-18H,1-2,4,7-13H2,(H,23,26)/t17-,18+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide?
(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 379.91 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 99799120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).