N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide

C19H13BrFN3O — CID 170555346

IUPACN-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1nccc2c1[nH]c1cc(F)ccc12
InChIInChI=1S/C19H13BrFN3O/c20-12-3-1-2-11(8-12)10-23-19(25)18-17-15(6-7-22-18)14-5-4-13(21)9-16(14)24-17/h1-9,24H,10H2,(H,23,25)
InChIKeyWMCWKBHWSMMHMP-UHFFFAOYSA-N
MW398.24 g/mol
LogP4.55
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide

N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 170555346) has the molecular formula C19H13BrFN3O and a molecular weight of 398.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID170555346
Molecular FormulaC19H13BrFN3O
Molecular Weight398.24 g/mol
Exact Mass397.02
IUPAC NameN-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1nccc2c1[nH]c1cc(F)ccc12
InChIInChI=1S/C19H13BrFN3O/c20-12-3-1-2-11(8-12)10-23-19(25)18-17-15(6-7-22-18)14-5-4-13(21)9-16(14)24-17/h1-9,24H,10H2,(H,23,25)
InChIKeyWMCWKBHWSMMHMP-UHFFFAOYSA-N
XLogP4.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 170555357
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
2-[(3-bromophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 16719157
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
CID 113083740
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
1-[(3-bromophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908245

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide (CID 170555346) is N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide is O=C(NCc1cccc(Br)c1)c1nccc2c1[nH]c1cc(F)ccc12.
What is the InChIKey of N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is WMCWKBHWSMMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3O/c20-12-3-1-2-11(8-12)10-23-19(25)18-17-15(6-7-22-18)14-5-4-13(21)9-16(14)24-17/h1-9,24H,10H2,(H,23,25).
What are the key properties of N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide?
N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 398.24 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-7-fluoro-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 170555346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).