N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C30H38Cl2FN5O4 — CID 10484023

IUPACN-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C2CCCN2)C(COC)C1
InChIInChI=1S/C30H38Cl2FN5O4/c1-34-29(40)27(16-20-7-10-23(31)24(32)14-20)37-12-13-38(22(17-37)18-42-2)30(41)26(15-19-5-8-21(33)9-6-19)36-28(39)25-4-3-11-35-25/h5-10,14,22,25-27,35H,3-4,11-13,15-18H2,1-2H3,(H,34,40)(H,36,39)
InChIKeyLQDRROYVVZOVEA-UHFFFAOYSA-N
MW622.57 g/mol
LogP2.43
Rot. Bonds11

About N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 10484023) has the molecular formula C30H38Cl2FN5O4 and a molecular weight of 622.57 g/mol. Its IUPAC name is N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID10484023
Molecular FormulaC30H38Cl2FN5O4
Molecular Weight622.57 g/mol
Exact Mass621.23
IUPAC NameN-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C2CCCN2)C(COC)C1
InChIInChI=1S/C30H38Cl2FN5O4/c1-34-29(40)27(16-20-7-10-23(31)24(32)14-20)37-12-13-38(22(17-37)18-42-2)30(41)26(15-19-5-8-21(33)9-6-19)36-28(39)25-4-3-11-35-25/h5-10,14,22,25-27,35H,3-4,11-13,15-18H2,1-2H3,(H,34,40)(H,36,39)
InChIKeyLQDRROYVVZOVEA-UHFFFAOYSA-N
XLogP2.43
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.57
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide
CID 54582311
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US10428108, Example 15
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Proline scaffold, 23
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CID 9985386
2-amino-N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-methylpropanamide
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1-amino-N-[1-[4-[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 10054064

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 10484023) is N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C2CCCN2)C(COC)C1.
What is the InChIKey of N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is LQDRROYVVZOVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38Cl2FN5O4/c1-34-29(40)27(16-20-7-10-23(31)24(32)14-20)37-12-13-38(22(17-37)18-42-2)30(41)26(15-19-5-8-21(33)9-6-19)36-28(39)25-4-3-11-35-25/h5-10,14,22,25-27,35H,3-4,11-13,15-18H2,1-2H3,(H,34,40)(H,36,39).
What are the key properties of N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 622.57 g/mol, XLogP of 2.43, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10484023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).