7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide

C20H21FN2O — CID 176934791

IUPAC7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1cc(-c2ccccc2)c2cc(C(=O)N(C)C)[nH]c2c1F
InChIInChI=1S/C20H21FN2O/c1-12(2)14-10-15(13-8-6-5-7-9-13)16-11-17(20(24)23(3)4)22-19(16)18(14)21/h5-12,22H,1-4H3
InChIKeyVDQRVZRBTXCADK-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.80
Rot. Bonds3

About 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide

7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 176934791) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide
PubChem CID176934791
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1cc(-c2ccccc2)c2cc(C(=O)N(C)C)[nH]c2c1F
InChIInChI=1S/C20H21FN2O/c1-12(2)14-10-15(13-8-6-5-7-9-13)16-11-17(20(24)23(3)4)22-19(16)18(14)21/h5-12,22H,1-4H3
InChIKeyVDQRVZRBTXCADK-UHFFFAOYSA-N
XLogP4.80
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide (CID 176934791) is 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide is CC(C)c1cc(-c2ccccc2)c2cc(C(=O)N(C)C)[nH]c2c1F.
What is the InChIKey of 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is VDQRVZRBTXCADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-12(2)14-10-15(13-8-6-5-7-9-13)16-11-17(20(24)23(3)4)22-19(16)18(14)21/h5-12,22H,1-4H3.
What are the key properties of 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide?
7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,N-dimethyl-4-phenyl-6-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 176934791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).