N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide

C28H23FN2O — CID 174540037

IUPACN-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide
SMILESCC(=O)N(F)c1ccc(-c2cccc3c2c(Cc2ccc4ccccc4c2)cn3C)cc1
InChIInChI=1S/C28H23FN2O/c1-19(32)31(29)25-14-12-22(13-15-25)26-8-5-9-27-28(26)24(18-30(27)2)17-20-10-11-21-6-3-4-7-23(21)16-20/h3-16,18H,17H2,1-2H3
InChIKeyVUGUNCAMUBUATG-UHFFFAOYSA-N
MW422.50 g/mol
LogP6.83
Rot. Bonds4

About N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide

N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide (PubChem CID 174540037) has the molecular formula C28H23FN2O and a molecular weight of 422.50 g/mol. Its IUPAC name is N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide
PubChem CID174540037
Molecular FormulaC28H23FN2O
Molecular Weight422.50 g/mol
Exact Mass422.18
IUPAC NameN-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide
SMILESCC(=O)N(F)c1ccc(-c2cccc3c2c(Cc2ccc4ccccc4c2)cn3C)cc1
InChIInChI=1S/C28H23FN2O/c1-19(32)31(29)25-14-12-22(13-15-25)26-8-5-9-27-28(26)24(18-30(27)2)17-20-10-11-21-6-3-4-7-23(21)16-20/h3-16,18H,17H2,1-2H3
InChIKeyVUGUNCAMUBUATG-UHFFFAOYSA-N
XLogP6.83
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide?
The IUPAC name of N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide (CID 174540037) is N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide?
The canonical SMILES for N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide is CC(=O)N(F)c1ccc(-c2cccc3c2c(Cc2ccc4ccccc4c2)cn3C)cc1.
What is the InChIKey of N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide?
The InChIKey is VUGUNCAMUBUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O/c1-19(32)31(29)25-14-12-22(13-15-25)26-8-5-9-27-28(26)24(18-30(27)2)17-20-10-11-21-6-3-4-7-23(21)16-20/h3-16,18H,17H2,1-2H3.
What are the key properties of N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide?
N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[4-[1-methyl-3-(naphthalen-2-ylmethyl)indol-4-yl]phenyl]acetamide is sourced from PubChem (CID 174540037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).