1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C24H29Cl2N3O2 — CID 56663271

IUPAC1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-29(2)15-3-14-27-22(30)21(16-17-4-8-19(25)9-5-17)28-23(31)24(12-13-24)18-6-10-20(26)11-7-18/h4-11,21H,3,12-16H2,1-2H3,(H,27,30)(H,28,31)/t21-/m1/s1
InChIKeyPKNDVVOXKCCKCX-OAQYLSRUSA-N
MW462.42 g/mol
LogP3.82
Rot. Bonds10

About 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 56663271) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
PubChem CID56663271
Molecular FormulaC24H29Cl2N3O2
Molecular Weight462.42 g/mol
Exact Mass461.16
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-29(2)15-3-14-27-22(30)21(16-17-4-8-19(25)9-5-17)28-23(31)24(12-13-24)18-6-10-20(26)11-7-18/h4-11,21H,3,12-16H2,1-2H3,(H,27,30)(H,28,31)/t21-/m1/s1
InChIKeyPKNDVVOXKCCKCX-OAQYLSRUSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 56663271) is 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is PKNDVVOXKCCKCX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2/c1-29(2)15-3-14-27-22(30)21(16-17-4-8-19(25)9-5-17)28-23(31)24(12-13-24)18-6-10-20(26)11-7-18/h4-11,21H,3,12-16H2,1-2H3,(H,27,30)(H,28,31)/t21-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[3-(dimethylamino)propylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56663271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).