N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide

C28H24FNO — CID 22567004

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1
InChIInChI=1S/C28H24FNO/c1-19-14-15-20-8-4-6-12-25(20)27(19)28(31)30(18-23-11-5-7-13-26(23)29)24-16-21-9-2-3-10-22(21)17-24/h2-15,24H,16-18H2,1H3
InChIKeyCZNCRUXJXDUIPP-UHFFFAOYSA-N
MW409.50 g/mol
LogP6.10
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide (PubChem CID 22567004) has the molecular formula C28H24FNO and a molecular weight of 409.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide
PubChem CID22567004
Molecular FormulaC28H24FNO
Molecular Weight409.50 g/mol
Exact Mass409.18
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1
InChIInChI=1S/C28H24FNO/c1-19-14-15-20-8-4-6-12-25(20)27(19)28(31)30(18-23-11-5-7-13-26(23)29)24-16-21-9-2-3-10-22(21)17-24/h2-15,24H,16-18H2,1H3
InChIKeyCZNCRUXJXDUIPP-UHFFFAOYSA-N
XLogP6.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide (CID 22567004) is N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide is Cc1ccc2ccccc2c1C(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide?
The InChIKey is CZNCRUXJXDUIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO/c1-19-14-15-20-8-4-6-12-25(20)27(19)28(31)30(18-23-11-5-7-13-26(23)29)24-16-21-9-2-3-10-22(21)17-24/h2-15,24H,16-18H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide has a molecular weight of 409.50 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 22567004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).