N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide

C18H19BrN2O — CID 52510873

IUPACN-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@H]2CCc3cc(Br)ccc32)cc1
InChIInChI=1S/C18H19BrN2O/c1-12(22)21-16-6-2-13(3-7-16)11-20-18-9-4-14-10-15(19)5-8-17(14)18/h2-3,5-8,10,18,20H,4,9,11H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyMTUVPLXWQVXWNL-SFHVURJKSA-N
MW359.27 g/mol
LogP4.18
Rot. Bonds4

About N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide

N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide (PubChem CID 52510873) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
PubChem CID52510873
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC NameN-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@H]2CCc3cc(Br)ccc32)cc1
InChIInChI=1S/C18H19BrN2O/c1-12(22)21-16-6-2-13(3-7-16)11-20-18-9-4-14-10-15(19)5-8-17(14)18/h2-3,5-8,10,18,20H,4,9,11H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyMTUVPLXWQVXWNL-SFHVURJKSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide (CID 52510873) is N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN[C@H]2CCc3cc(Br)ccc32)cc1.
What is the InChIKey of N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide?
The InChIKey is MTUVPLXWQVXWNL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-12(22)21-16-6-2-13(3-7-16)11-20-18-9-4-14-10-15(19)5-8-17(14)18/h2-3,5-8,10,18,20H,4,9,11H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide has a molecular weight of 359.27 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 52510873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).