N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C24H26Cl2FN3O2 — CID 75229363

IUPACN-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)NC(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H26Cl2FN3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-5-18(25)15-20(16)26)28-23(32)24(8-9-24)17-3-6-19(27)7-4-17/h2-7,15,21H,8-14H2,1H3,(H,28,32)
InChIKeyUTBABIOGDRNRIQ-UHFFFAOYSA-N
MW478.40 g/mol
LogP3.67
Rot. Bonds6

About N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 75229363) has the molecular formula C24H26Cl2FN3O2 and a molecular weight of 478.40 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID75229363
Molecular FormulaC24H26Cl2FN3O2
Molecular Weight478.40 g/mol
Exact Mass477.14
IUPAC NameN-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)NC(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H26Cl2FN3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-5-18(25)15-20(16)26)28-23(32)24(8-9-24)17-3-6-19(27)7-4-17/h2-7,15,21H,8-14H2,1H3,(H,28,32)
InChIKeyUTBABIOGDRNRIQ-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 75229363) is N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is CN1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)NC(=O)C2(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UTBABIOGDRNRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-5-18(25)15-20(16)26)28-23(32)24(8-9-24)17-3-6-19(27)7-4-17/h2-7,15,21H,8-14H2,1H3,(H,28,32).
What are the key properties of N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 478.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 75229363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).