2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

C24H29Cl2N3O3 — CID 133149539

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H29Cl2N3O3/c1-18(24(31)27-10-11-28-12-14-32-15-13-28)29(17-20-4-8-22(26)9-5-20)23(30)16-19-2-6-21(25)7-3-19/h2-9,18H,10-17H2,1H3,(H,27,31)
InChIKeyNRLSPCLNOVZBMX-UHFFFAOYSA-N
MW478.42 g/mol
LogP3.40
Rot. Bonds9

About 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 133149539) has the molecular formula C24H29Cl2N3O3 and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID133149539
Molecular FormulaC24H29Cl2N3O3
Molecular Weight478.42 g/mol
Exact Mass477.16
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H29Cl2N3O3/c1-18(24(31)27-10-11-28-12-14-32-15-13-28)29(17-20-4-8-22(26)9-5-20)23(30)16-19-2-6-21(25)7-3-19/h2-9,18H,10-17H2,1H3,(H,27,31)
InChIKeyNRLSPCLNOVZBMX-UHFFFAOYSA-N
XLogP3.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133214559
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 50944624
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213138
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 133213651

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (CID 133149539) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is CC(C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is NRLSPCLNOVZBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3/c1-18(24(31)27-10-11-28-12-14-32-15-13-28)29(17-20-4-8-22(26)9-5-20)23(30)16-19-2-6-21(25)7-3-19/h2-9,18H,10-17H2,1H3,(H,27,31).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 478.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 133149539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).