4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

C17H15FN2O — CID 5096418

IUPAC4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C17H15FN2O/c1-11-8-14-9-12(2-7-16(14)20-11)10-19-17(21)13-3-5-15(18)6-4-13/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyXHJODRGZABQGFT-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.55
Rot. Bonds3

About 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (PubChem CID 5096418) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
PubChem CID5096418
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C17H15FN2O/c1-11-8-14-9-12(2-7-16(14)20-11)10-19-17(21)13-3-5-15(18)6-4-13/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyXHJODRGZABQGFT-UHFFFAOYSA-N
XLogP3.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110425550
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110425565
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666046

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (CID 5096418) is 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is Cc1cc2cc(CNC(=O)c3ccc(F)cc3)ccc2[nH]1.
What is the InChIKey of 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The InChIKey is XHJODRGZABQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-8-14-9-12(2-7-16(14)20-11)10-19-17(21)13-3-5-15(18)6-4-13/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide has a molecular weight of 282.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is sourced from PubChem (CID 5096418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).