4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide

C24H24N2O — CID 58276465

IUPAC4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cccc(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C24H24N2O/c1-16-11-21(24(25)27)9-10-23(16)20-8-4-5-17(12-20)15-26-22-13-18-6-2-3-7-19(18)14-22/h2-12,22,26H,13-15H2,1H3,(H2,25,27)
InChIKeySHMYRDSONMMSGJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.02
Rot. Bonds5

About 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide

4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide (PubChem CID 58276465) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
PubChem CID58276465
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cccc(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C24H24N2O/c1-16-11-21(24(25)27)9-10-23(16)20-8-4-5-17(12-20)15-26-22-13-18-6-2-3-7-19(18)14-22/h2-12,22,26H,13-15H2,1H3,(H2,25,27)
InChIKeySHMYRDSONMMSGJ-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide?
The IUPAC name of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide (CID 58276465) is 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide?
The canonical SMILES for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1-c1cccc(CNC2Cc3ccccc3C2)c1.
What is the InChIKey of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide?
The InChIKey is SHMYRDSONMMSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-16-11-21(24(25)27)9-10-23(16)20-8-4-5-17(12-20)15-26-22-13-18-6-2-3-7-19(18)14-22/h2-12,22,26H,13-15H2,1H3,(H2,25,27).
What are the key properties of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide?
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 58276465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).