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

C23H26Cl2N2O3 — CID 56676960

IUPAC(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1
InChIInChI=1S/C23H26Cl2N2O3/c24-17-8-4-15(5-9-17)12-21(23(30)26-19-2-1-3-20(28)14-19)27-22(29)13-16-6-10-18(25)11-7-16/h4-11,19-21,28H,1-3,12-14H2,(H,26,30)(H,27,29)/t19?,20?,21-/m1/s1
InChIKeyKHPINRRVXGWDQG-XVAXZDLZSA-N
MW449.38 g/mol
LogP3.68
Rot. Bonds7

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

(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide (PubChem CID 56676960) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide
PubChem CID56676960
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1
InChIInChI=1S/C23H26Cl2N2O3/c24-17-8-4-15(5-9-17)12-21(23(30)26-19-2-1-3-20(28)14-19)27-22(29)13-16-6-10-18(25)11-7-16/h4-11,19-21,28H,1-3,12-14H2,(H,26,30)(H,27,29)/t19?,20?,21-/m1/s1
InChIKeyKHPINRRVXGWDQG-XVAXZDLZSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-hydroxycyclohexyl)propanamide?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide (CID 56676960) is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide is O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCC(O)C1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide?
The InChIKey is KHPINRRVXGWDQG-XVAXZDLZSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c24-17-8-4-15(5-9-17)12-21(23(30)26-19-2-1-3-20(28)14-19)27-22(29)13-16-6-10-18(25)11-7-16/h4-11,19-21,28H,1-3,12-14H2,(H,26,30)(H,27,29)/t19?,20?,21-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide?
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxycyclohexyl)propanamide has a molecular weight of 449.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 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-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 56676960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).