2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C19H24ClN3O2 — CID 53147920

IUPAC2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1cccn1-c1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C19H24ClN3O2/c20-16-4-6-17(7-5-16)23-10-1-3-18(23)15-19(24)21-8-2-9-22-11-13-25-14-12-22/h1,3-7,10H,2,8-9,11-15H2,(H,21,24)
InChIKeyXLDWZFSZWPNRJF-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.51
Rot. Bonds7

About 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 53147920) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID53147920
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1cccn1-c1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C19H24ClN3O2/c20-16-4-6-17(7-5-16)23-10-1-3-18(23)15-19(24)21-8-2-9-22-11-13-25-14-12-22/h1,3-7,10H,2,8-9,11-15H2,(H,21,24)
InChIKeyXLDWZFSZWPNRJF-UHFFFAOYSA-N
XLogP2.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
CID 97266725
2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 11741077
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
CID 88823559
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 53147920) is 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cc1cccn1-c1ccc(Cl)cc1)NCCCN1CCOCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is XLDWZFSZWPNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c20-16-4-6-17(7-5-16)23-10-1-3-18(23)15-19(24)21-8-2-9-22-11-13-25-14-12-22/h1,3-7,10H,2,8-9,11-15H2,(H,21,24).
What are the key properties of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 361.87 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 53147920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).