(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide

C22H27Cl2N3O2 — CID 56673646

IUPAC(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H27Cl2N3O2/c1-27(2)13-3-12-25-22(29)20(14-16-4-8-18(23)9-5-16)26-21(28)15-17-6-10-19(24)11-7-17/h4-11,20H,3,12-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/m1/s1
InChIKeyMECCMAZCQYVXEK-HXUWFJFHSA-N
MW436.38 g/mol
LogP3.33
Rot. Bonds10

About (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide

(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 56673646) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID56673646
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.38 g/mol
Exact Mass435.15
IUPAC Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H27Cl2N3O2/c1-27(2)13-3-12-25-22(29)20(14-16-4-8-18(23)9-5-16)26-21(28)15-17-6-10-19(24)11-7-17/h4-11,20H,3,12-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/m1/s1
InChIKeyMECCMAZCQYVXEK-HXUWFJFHSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 53.33
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 (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide (CID 56673646) is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is MECCMAZCQYVXEK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27Cl2N3O2/c1-27(2)13-3-12-25-22(29)20(14-16-4-8-18(23)9-5-16)26-21(28)15-17-6-10-19(24)11-7-17/h4-11,20H,3,12-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide?
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 436.38 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 56673646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).