3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide

C19H21NO — CID 90004872

IUPAC3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide
SMILESCC1Cc2c(-c3cccc(C(N)=O)c3)cccc2C1(C)C
InChIInChI=1S/C19H21NO/c1-12-10-16-15(8-5-9-17(16)19(12,2)3)13-6-4-7-14(11-13)18(20)21/h4-9,11-12H,10H2,1-3H3,(H2,20,21)
InChIKeyUPFCDPGIJBKIBP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.92
Rot. Bonds2

About 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide

3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide (PubChem CID 90004872) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide.

Molecular Properties

Compound Name3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide
PubChem CID90004872
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide
SMILESCC1Cc2c(-c3cccc(C(N)=O)c3)cccc2C1(C)C
InChIInChI=1S/C19H21NO/c1-12-10-16-15(8-5-9-17(16)19(12,2)3)13-6-4-7-14(11-13)18(20)21/h4-9,11-12H,10H2,1-3H3,(H2,20,21)
InChIKeyUPFCDPGIJBKIBP-UHFFFAOYSA-N
XLogP3.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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9h-Fluorene-4-carboxamide
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Fluorene-1-carbonyl azide
CID 55892
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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide?
The IUPAC name of 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide (CID 90004872) is 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide.
What is the SMILES notation for 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide?
The canonical SMILES for 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide is CC1Cc2c(-c3cccc(C(N)=O)c3)cccc2C1(C)C.
What is the InChIKey of 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide?
The InChIKey is UPFCDPGIJBKIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-12-10-16-15(8-5-9-17(16)19(12,2)3)13-6-4-7-14(11-13)18(20)21/h4-9,11-12H,10H2,1-3H3,(H2,20,21).
What are the key properties of 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide?
3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide has a molecular weight of 279.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)benzamide is sourced from PubChem (CID 90004872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).