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

C24H26Cl3N3O2 — CID 75229212

IUPACN-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C24H26Cl3N3O2/c1-29-9-11-30(12-10-29)22(31)21(14-16-3-2-4-17(25)13-16)28-23(32)24(7-8-24)19-6-5-18(26)15-20(19)27/h2-6,13,15,21H,7-12,14H2,1H3,(H,28,32)
InChIKeyCUTSQRYMEAKAAL-UHFFFAOYSA-N
MW494.85 g/mol
LogP4.18
Rot. Bonds6

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

N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 75229212) has the molecular formula C24H26Cl3N3O2 and a molecular weight of 494.85 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID75229212
Molecular FormulaC24H26Cl3N3O2
Molecular Weight494.85 g/mol
Exact Mass493.11
IUPAC NameN-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCN1CCN(C(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C24H26Cl3N3O2/c1-29-9-11-30(12-10-29)22(31)21(14-16-3-2-4-17(25)13-16)28-23(32)24(7-8-24)19-6-5-18(26)15-20(19)27/h2-6,13,15,21H,7-12,14H2,1H3,(H,28,32)
InChIKeyCUTSQRYMEAKAAL-UHFFFAOYSA-N
XLogP4.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 75229212) is N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is CN1CCN(C(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is CUTSQRYMEAKAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl3N3O2/c1-29-9-11-30(12-10-29)22(31)21(14-16-3-2-4-17(25)13-16)28-23(32)24(7-8-24)19-6-5-18(26)15-20(19)27/h2-6,13,15,21H,7-12,14H2,1H3,(H,28,32).
What are the key properties of N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 494.85 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 75229212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).