1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

C27H35Cl2N3O2 — CID 123839172

IUPAC1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(CC(CN2CCCC2)NC(=O)C2CCN(c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C27H35Cl2N3O2/c1-19(2)34-26-10-5-20(16-25(26)29)15-23(18-31-12-3-4-13-31)30-27(33)21-11-14-32(17-21)24-8-6-22(28)7-9-24/h5-10,16,19,21,23H,3-4,11-15,17-18H2,1-2H3,(H,30,33)
InChIKeyDWAZWOIKLGBFHQ-UHFFFAOYSA-N
MW504.50 g/mol
LogP5.43
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 123839172) has the molecular formula C27H35Cl2N3O2 and a molecular weight of 504.50 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID123839172
Molecular FormulaC27H35Cl2N3O2
Molecular Weight504.50 g/mol
Exact Mass503.21
IUPAC Name1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(CC(CN2CCCC2)NC(=O)C2CCN(c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C27H35Cl2N3O2/c1-19(2)34-26-10-5-20(16-25(26)29)15-23(18-31-12-3-4-13-31)30-27(33)21-11-14-32(17-21)24-8-6-22(28)7-9-24/h5-10,16,19,21,23H,3-4,11-15,17-18H2,1-2H3,(H,30,33)
InChIKeyDWAZWOIKLGBFHQ-UHFFFAOYSA-N
XLogP5.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[1-(3-chloro-4-ethenoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 134288513
(3R)-N-[1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide
CID 134288478
(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)-1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 118058054
(3R)-1-(4-chlorophenyl)-N-[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 134288537
(3R)-1-benzoyl-N-[1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 134288553
1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxy-3-fluorophenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 123435780
(3R)-N-[1-(4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(6-fluoronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 134288473
(1R,2R)-2-amino-1-[3-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-pyrrolidin-1-ylpropan-1-ol;azane;(3R)-N-[(1R,2R)-1-[3-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-chlorophenyl)pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 161167498
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
1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 123192305
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (CID 123839172) is 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is CC(C)Oc1ccc(CC(CN2CCCC2)NC(=O)C2CCN(c3ccc(Cl)cc3)C2)cc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is DWAZWOIKLGBFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Cl2N3O2/c1-19(2)34-26-10-5-20(16-25(26)29)15-23(18-31-12-3-4-13-31)30-27(33)21-11-14-32(17-21)24-8-6-22(28)7-9-24/h5-10,16,19,21,23H,3-4,11-15,17-18H2,1-2H3,(H,30,33).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 504.50 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(3-chloro-4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123839172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).