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

C17H15BrN2O — CID 114485978

IUPAC4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H15BrN2O/c1-11-8-13(17(19)21)2-3-14(11)10-20-7-6-12-4-5-15(18)9-16(12)20/h2-9H,10H2,1H3,(H2,19,21)
InChIKeyAMPHYHIDMOGVKF-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.86
Rot. Bonds3

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

4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide (PubChem CID 114485978) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
PubChem CID114485978
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H15BrN2O/c1-11-8-13(17(19)21)2-3-14(11)10-20-7-6-12-4-5-15(18)9-16(12)20/h2-9H,10H2,1H3,(H2,19,21)
InChIKeyAMPHYHIDMOGVKF-UHFFFAOYSA-N
XLogP3.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
CID 116621806
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114485977
6-bromo-1-[(2,5-dimethylphenyl)methyl]indole
CID 116621819
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
2-[(6-methylindol-1-yl)methyl]benzamide
CID 116546878
3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
CID 114485990
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide
CID 114485945
4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
CID 114561799

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide (CID 114485978) is 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1Cn1ccc2ccc(Br)cc21.
What is the InChIKey of 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide?
The InChIKey is AMPHYHIDMOGVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-8-13(17(19)21)2-3-14(11)10-20-7-6-12-4-5-15(18)9-16(12)20/h2-9H,10H2,1H3,(H2,19,21).
What are the key properties of 4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide?
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide has a molecular weight of 343.22 g/mol, XLogP of 3.86, 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-methylbenzamide is sourced from PubChem (CID 114485978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).