1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

C27H34ClN3O3 — CID 123192305

IUPAC1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC(CN1CCCC1)C(O)c1ccc(OC2CC2)cc1)C1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C27H34ClN3O3/c28-21-5-7-22(8-6-21)31-16-13-20(17-31)27(33)29-25(18-30-14-1-2-15-30)26(32)19-3-9-23(10-4-19)34-24-11-12-24/h3-10,20,24-26,32H,1-2,11-18H2,(H,29,33)
InChIKeyHRBDZUBMEKZWFP-UHFFFAOYSA-N
MW484.04 g/mol
LogP4.02
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 123192305) has the molecular formula C27H34ClN3O3 and a molecular weight of 484.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID123192305
Molecular FormulaC27H34ClN3O3
Molecular Weight484.04 g/mol
Exact Mass483.23
IUPAC Name1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC(CN1CCCC1)C(O)c1ccc(OC2CC2)cc1)C1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C27H34ClN3O3/c28-21-5-7-22(8-6-21)31-16-13-20(17-31)27(33)29-25(18-30-14-1-2-15-30)26(32)19-3-9-23(10-4-19)34-24-11-12-24/h3-10,20,24-26,32H,1-2,11-18H2,(H,29,33)
InChIKeyHRBDZUBMEKZWFP-UHFFFAOYSA-N
XLogP4.02
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxy-3-fluorophenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 123435780
(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclobutyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 118058514
(3R)-N-[3-(azetidin-1-yl)-1-(4-cyclopropyloxyphenyl)-1-hydroxypropan-2-yl]-1-(1-benzothiophen-6-yl)pyrrolidine-3-carboxamide
CID 134279730
N-[1-(4-cyclopropyloxy-3-fluorophenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide
CID 123385678
(1R,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;methane;tungsten
CID 161004858
1-(4-tert-butylphenyl)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 122555669
(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 118058077
N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-cyanophenyl)pyrrolidine-3-carboxamide
CID 122555728
N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 122555710
N-[(1R,2R)-1-[3-chloro-4-(oxan-4-yloxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide
CID 122555753
N-[1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-[6-(4-chlorophenoxy)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 123155974
(1R,2R)-2-amino-1-(4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(1-benzothiophen-6-yl)-N-[(1R,2R)-1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(1-benzothiophen-6-yl)pyrrolidine-3-carboxylic acid;methane;molecular hydrogen
CID 160529291

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (CID 123192305) is 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is O=C(NC(CN1CCCC1)C(O)c1ccc(OC2CC2)cc1)C1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is HRBDZUBMEKZWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O3/c28-21-5-7-22(8-6-21)31-16-13-20(17-31)27(33)29-25(18-30-14-1-2-15-30)26(32)19-3-9-23(10-4-19)34-24-11-12-24/h3-10,20,24-26,32H,1-2,11-18H2,(H,29,33).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 484.04 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123192305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).