N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide

C27H20Cl2FN3O — CID 18847395

IUPACN-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C27H20Cl2FN3O/c28-17-9-11-21(29)25(14-17)32-26(34)7-3-5-19-20-15-18(30)10-13-23(20)33-27(19)24-12-8-16-4-1-2-6-22(16)31-24/h1-2,4,6,8-15,33H,3,5,7H2,(H,32,34)
InChIKeyDBOIILLLRJUNND-UHFFFAOYSA-N
MW492.38 g/mol
LogP7.79
Rot. Bonds6

About N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide

N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18847395) has the molecular formula C27H20Cl2FN3O and a molecular weight of 492.38 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18847395
Molecular FormulaC27H20Cl2FN3O
Molecular Weight492.38 g/mol
Exact Mass491.10
IUPAC NameN-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C27H20Cl2FN3O/c28-17-9-11-21(29)25(14-17)32-26(34)7-3-5-19-20-15-18(30)10-13-23(20)33-27(19)24-12-8-16-4-1-2-6-22(16)31-24/h1-2,4,6,8-15,33H,3,5,7H2,(H,32,34)
InChIKeyDBOIILLLRJUNND-UHFFFAOYSA-N
XLogP7.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.38
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18847354
N-(5-chloro-2-methoxyphenyl)-4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847160
N-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847315
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(2-nitrophenyl)butanamide
CID 18847240
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
CID 18847417
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 18847440
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
CID 18847197
N-(2-bromo-5-nitrophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847388
ethyl 4-[4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18847392
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
CID 18847215
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide
CID 18847249
N-(2,6-dichlorophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846946

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide (CID 18847395) is N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is DBOIILLLRJUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2FN3O/c28-17-9-11-21(29)25(14-17)32-26(34)7-3-5-19-20-15-18(30)10-13-23(20)33-27(19)24-12-8-16-4-1-2-6-22(16)31-24/h1-2,4,6,8-15,33H,3,5,7H2,(H,32,34).
What are the key properties of N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide?
N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 492.38 g/mol, XLogP of 7.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18847395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).