N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C23H19ClFN3O — CID 18833186

IUPACN-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cccc(Cl)c1
InChIInChI=1S/C23H19ClFN3O/c24-15-5-3-6-17(13-15)27-22(29)9-4-7-18-19-14-16(25)10-11-20(19)28-23(18)21-8-1-2-12-26-21/h1-3,5-6,8,10-14,28H,4,7,9H2,(H,27,29)
InChIKeyPRFSQNJVPOHDJU-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.98
Rot. Bonds6

About N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18833186) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18833186
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC NameN-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cccc(Cl)c1
InChIInChI=1S/C23H19ClFN3O/c24-15-5-3-6-17(13-15)27-22(29)9-4-7-18-19-14-16(25)10-11-20(19)28-23(18)21-8-1-2-12-26-21/h1-3,5-6,8,10-14,28H,4,7,9H2,(H,27,29)
InChIKeyPRFSQNJVPOHDJU-UHFFFAOYSA-N
XLogP5.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.98
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18833186) is N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is PRFSQNJVPOHDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c24-15-5-3-6-17(13-15)27-22(29)9-4-7-18-19-14-16(25)10-11-20(19)28-23(18)21-8-1-2-12-26-21/h1-3,5-6,8,10-14,28H,4,7,9H2,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 407.88 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18833186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).