2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C20H24ClN3O3 — CID 11741077

IUPAC2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1ccn(C(=O)c2ccccc2)c1Cl)NCCCN1CCOCC1
InChIInChI=1S/C20H24ClN3O3/c21-19-17(7-10-24(19)20(26)16-5-2-1-3-6-16)15-18(25)22-8-4-9-23-11-13-27-14-12-23/h1-3,5-7,10H,4,8-9,11-15H2,(H,22,25)
InChIKeyFIEMMMXEEVJHKV-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.21
Rot. Bonds7

About 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 11741077) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID11741077
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1ccn(C(=O)c2ccccc2)c1Cl)NCCCN1CCOCC1
InChIInChI=1S/C20H24ClN3O3/c21-19-17(7-10-24(19)20(26)16-5-2-1-3-6-16)15-18(25)22-8-4-9-23-11-13-27-14-12-23/h1-3,5-7,10H,4,8-9,11-15H2,(H,22,25)
InChIKeyFIEMMMXEEVJHKV-UHFFFAOYSA-N
XLogP2.21
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzoyl-2-chloropyrrol-3-yl)-6-morpholin-4-ylhexan-2-one
CID 58387212
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53147920
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 84557544
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
CID 50847714
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 11741077) is 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cc1ccn(C(=O)c2ccccc2)c1Cl)NCCCN1CCOCC1.
What is the InChIKey of 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is FIEMMMXEEVJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-19-17(7-10-24(19)20(26)16-5-2-1-3-6-16)15-18(25)22-8-4-9-23-11-13-27-14-12-23/h1-3,5-7,10H,4,8-9,11-15H2,(H,22,25).
What are the key properties of 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 389.88 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 11741077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).