N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide

C17H15BrN2O2 — CID 10926449

IUPACN-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide
SMILESO=CNCc1c[nH]c2c(Br)ccc(OCc3ccccc3)c12
InChIInChI=1S/C17H15BrN2O2/c18-14-6-7-15(22-10-12-4-2-1-3-5-12)16-13(8-19-11-21)9-20-17(14)16/h1-7,9,11,20H,8,10H2,(H,19,21)
InChIKeyXSVOCUABCNIFRJ-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.76
Rot. Bonds6

About N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide

N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide (PubChem CID 10926449) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide
PubChem CID10926449
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide
SMILESO=CNCc1c[nH]c2c(Br)ccc(OCc3ccccc3)c12
InChIInChI=1S/C17H15BrN2O2/c18-14-6-7-15(22-10-12-4-2-1-3-5-12)16-13(8-19-11-21)9-20-17(14)16/h1-7,9,11,20H,8,10H2,(H,19,21)
InChIKeyXSVOCUABCNIFRJ-UHFFFAOYSA-N
XLogP3.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide 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

2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11014184
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)acetonitrile
CID 10947826
N-benzylformamide
CID 139060556
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 17156869
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903
3-phenylmethoxy-1H-pyrrole-2-carbaldehyde
CID 15619177
1-[3-[2-(dibutylamino)ethyl]-4-phenylmethoxy-1H-indol-7-yl]-2,2,2-trifluoroethanone
CID 163387084
4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
CID 170459869
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
CID 146035386
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide?
The IUPAC name of N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide (CID 10926449) is N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide.
What is the SMILES notation for N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide?
The canonical SMILES for N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide is O=CNCc1c[nH]c2c(Br)ccc(OCc3ccccc3)c12.
What is the InChIKey of N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide?
The InChIKey is XSVOCUABCNIFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-14-6-7-15(22-10-12-4-2-1-3-5-12)16-13(8-19-11-21)9-20-17(14)16/h1-7,9,11,20H,8,10H2,(H,19,21).
What are the key properties of N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide?
N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide has a molecular weight of 359.22 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide is sourced from PubChem (CID 10926449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).