N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide

C17H14BrFN2O — CID 55953581

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3cc(F)cc(Br)c3)[nH]c2c1
InChIInChI=1S/C17H14BrFN2O/c1-10-2-3-12-7-16(21-15(12)4-10)17(22)20-9-11-5-13(18)8-14(19)6-11/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyPKVZDWAZTOHZCE-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.31
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide

N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 55953581) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID55953581
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3cc(F)cc(Br)c3)[nH]c2c1
InChIInChI=1S/C17H14BrFN2O/c1-10-2-3-12-7-16(21-15(12)4-10)17(22)20-9-11-5-13(18)8-14(19)6-11/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyPKVZDWAZTOHZCE-UHFFFAOYSA-N
XLogP4.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55953711
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 55559390
N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
CID 113207305
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide (CID 55953581) is N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NCc3cc(F)cc(Br)c3)[nH]c2c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is PKVZDWAZTOHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-10-2-3-12-7-16(21-15(12)4-10)17(22)20-9-11-5-13(18)8-14(19)6-11/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 361.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55953581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).