N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide

C18H11ClFN3O — CID 21362680

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1F
InChIInChI=1S/C18H11ClFN3O/c19-10-7-13-11-5-6-21-9-16(11)22-17(13)15(8-10)23-18(24)12-3-1-2-4-14(12)20/h1-9,22H,(H,23,24)
InChIKeyQGLPSBPSPQYMOQ-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.76
Rot. Bonds2

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide (PubChem CID 21362680) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide
PubChem CID21362680
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1F
InChIInChI=1S/C18H11ClFN3O/c19-10-7-13-11-5-6-21-9-16(11)22-17(13)15(8-10)23-18(24)12-3-1-2-4-14(12)20/h1-9,22H,(H,23,24)
InChIKeyQGLPSBPSPQYMOQ-UHFFFAOYSA-N
XLogP4.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide
CID 21362693
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 158752682
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 21362716
(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide
CID 11772262
(2E,3Z)-2-(aminomethylidene)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)hexa-3,5-dienamide
CID 89003482
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
CID 11361077
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068601
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide
CID 103874447

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide (CID 21362680) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide is O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1F.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide?
The InChIKey is QGLPSBPSPQYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-10-7-13-11-5-6-21-9-16(11)22-17(13)15(8-10)23-18(24)12-3-1-2-4-14(12)20/h1-9,22H,(H,23,24).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide has a molecular weight of 339.76 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide is sourced from PubChem (CID 21362680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).