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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Related Compounds

4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
CID 18832923
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
CID 18833173
N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833233
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
CID 18832998
N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833113
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18833128
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833140
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
CID 18833255
ethyl 2-[4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18833262

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).