N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

C24H28Cl2N2O3 — CID 46059583

IUPACN-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1
InChIInChI=1S/C24H28Cl2N2O3/c1-16(2)13-28(23(29)18-6-4-17(3)5-7-18)15-20-14-27(10-11-31-20)24(30)19-8-9-21(25)22(26)12-19/h4-9,12,16,20H,10-11,13-15H2,1-3H3
InChIKeyQZBKNSCXYRRMBS-UHFFFAOYSA-N
MW463.41 g/mol
LogP4.94
Rot. Bonds6

About N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 46059583) has the molecular formula C24H28Cl2N2O3 and a molecular weight of 463.41 g/mol. Its IUPAC name is N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID46059583
Molecular FormulaC24H28Cl2N2O3
Molecular Weight463.41 g/mol
Exact Mass462.15
IUPAC NameN-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1
InChIInChI=1S/C24H28Cl2N2O3/c1-16(2)13-28(23(29)18-6-4-17(3)5-7-18)15-20-14-27(10-11-31-20)24(30)19-8-9-21(25)22(26)12-19/h4-9,12,16,20H,10-11,13-15H2,1-3H3
InChIKeyQZBKNSCXYRRMBS-UHFFFAOYSA-N
XLogP4.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 46059583) is N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(C)C)CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1.
What is the InChIKey of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is QZBKNSCXYRRMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O3/c1-16(2)13-28(23(29)18-6-4-17(3)5-7-18)15-20-14-27(10-11-31-20)24(30)19-8-9-21(25)22(26)12-19/h4-9,12,16,20H,10-11,13-15H2,1-3H3.
What are the key properties of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 463.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46059583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).