N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide

C19H19FN2O — CID 5175509

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc2cc(CNC(=O)Cc3ccc(F)cc3)ccc2n1C
InChIInChI=1S/C19H19FN2O/c1-13-9-16-10-15(5-8-18(16)22(13)2)12-21-19(23)11-14-3-6-17(20)7-4-14/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyVOLBHGOORXYXLE-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.48
Rot. Bonds4

About N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide

N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 5175509) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
PubChem CID5175509
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc2cc(CNC(=O)Cc3ccc(F)cc3)ccc2n1C
InChIInChI=1S/C19H19FN2O/c1-13-9-16-10-15(5-8-18(16)22(13)2)12-21-19(23)11-14-3-6-17(20)7-4-14/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyVOLBHGOORXYXLE-UHFFFAOYSA-N
XLogP3.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110425662
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110613618

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide (CID 5175509) is N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide is Cc1cc2cc(CNC(=O)Cc3ccc(F)cc3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is VOLBHGOORXYXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-9-16-10-15(5-8-18(16)22(13)2)12-21-19(23)11-14-3-6-17(20)7-4-14/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide?
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5175509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).