N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide

C22H24ClN3O2 — CID 20968974

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C22H24ClN3O2/c23-19-14-17(8-9-21(19)26-10-12-28-13-11-26)25-22(27)7-3-4-16-15-24-20-6-2-1-5-18(16)20/h1-2,5-6,8-9,14-15,24H,3-4,7,10-13H2,(H,25,27)
InChIKeyAGCQOULTNINPTB-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.62
Rot. Bonds6

About N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide

N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 20968974) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
PubChem CID20968974
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C22H24ClN3O2/c23-19-14-17(8-9-21(19)26-10-12-28-13-11-26)25-22(27)7-3-4-16-15-24-20-6-2-1-5-18(16)20/h1-2,5-6,8-9,14-15,24H,3-4,7,10-13H2,(H,25,27)
InChIKeyAGCQOULTNINPTB-UHFFFAOYSA-N
XLogP4.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-(1H-indol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 46412931
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 38541510
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214
4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 46680700
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
CID 7999030
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide (CID 20968974) is N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is AGCQOULTNINPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-14-17(8-9-21(19)26-10-12-28-13-11-26)25-22(27)7-3-4-16-15-24-20-6-2-1-5-18(16)20/h1-2,5-6,8-9,14-15,24H,3-4,7,10-13H2,(H,25,27).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 397.91 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 20968974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).