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

C17H14BrFN2O2 — CID 55953711

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3cc(F)cc(Br)c3)[nH]c2c1
InChIInChI=1S/C17H14BrFN2O2/c1-23-14-3-2-11-6-16(21-15(11)8-14)17(22)20-9-10-4-12(18)7-13(19)5-10/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyICAMWRADRWMSAO-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.01
Rot. Bonds4

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

N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 55953711) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID55953711
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3cc(F)cc(Br)c3)[nH]c2c1
InChIInChI=1S/C17H14BrFN2O2/c1-23-14-3-2-11-6-16(21-15(11)8-14)17(22)20-9-10-4-12(18)7-13(19)5-10/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyICAMWRADRWMSAO-UHFFFAOYSA-N
XLogP4.01
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 55953581
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 39983983
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide (CID 55953711) is N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3cc(F)cc(Br)c3)[nH]c2c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is ICAMWRADRWMSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c1-23-14-3-2-11-6-16(21-15(11)8-14)17(22)20-9-10-4-12(18)7-13(19)5-10/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide?
N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55953711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).