4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide

C16H12BrFN2O — CID 116621806

IUPAC4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(Cn2ccc3ccc(Br)cc32)c(F)c1
InChIInChI=1S/C16H12BrFN2O/c17-13-4-3-10-5-6-20(15(10)8-13)9-12-2-1-11(16(19)21)7-14(12)18/h1-8H,9H2,(H2,19,21)
InChIKeyUHFSPVOAXWLPBK-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.69
Rot. Bonds3

About 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide

4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide (PubChem CID 116621806) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
PubChem CID116621806
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(Cn2ccc3ccc(Br)cc32)c(F)c1
InChIInChI=1S/C16H12BrFN2O/c17-13-4-3-10-5-6-20(15(10)8-13)9-12-2-1-11(16(19)21)7-14(12)18/h1-8H,9H2,(H2,19,21)
InChIKeyUHFSPVOAXWLPBK-UHFFFAOYSA-N
XLogP3.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690
1-[(4-bromo-2-fluorophenyl)methyl]-6-nitroindole
CID 116620983
4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 114761112
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 83133649
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 62045340
4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzamide
CID 66308705

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide (CID 116621806) is 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide is NC(=O)c1ccc(Cn2ccc3ccc(Br)cc32)c(F)c1.
What is the InChIKey of 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide?
The InChIKey is UHFSPVOAXWLPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c17-13-4-3-10-5-6-20(15(10)8-13)9-12-2-1-11(16(19)21)7-14(12)18/h1-8H,9H2,(H2,19,21).
What are the key properties of 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide?
4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide has a molecular weight of 347.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 116621806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).