N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide

C18H20N2O — CID 784112

IUPACN-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O/c1-13(21)20-17-8-5-14(6-9-17)12-19-18-10-7-15-3-2-4-16(15)11-18/h5-11,19H,2-4,12H2,1H3,(H,20,21)
InChIKeyWMHWOUBRCWHJRF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.75
Rot. Bonds4

About N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide

N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide (PubChem CID 784112) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide
PubChem CID784112
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O/c1-13(21)20-17-8-5-14(6-9-17)12-19-18-10-7-15-3-2-4-16(15)11-18/h5-11,19H,2-4,12H2,1H3,(H,20,21)
InChIKeyWMHWOUBRCWHJRF-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetylaminofluorene
CID 5897
Hydroxyacetylaminofluorene
CID 5896
4-Acetylaminofluorene
CID 34210
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
Acetylbenzidine
CID 18787
N-2-Naphthalenylacetamide
CID 11394
2-(2,2,2-Trifluoroacetamido)fluorene
CID 9690
3',4'-Dimethylacetanilide
CID 75144
N,N'-bis(3,4-dimethylphenyl)propanediamide
CID 228389
N,N'-9H-Fluorene-2,7-diylbis(acetamide)
CID 9352
Acetamide, N-(9,10-dihydro-2-phenanthryl)-
CID 28996

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide (CID 784112) is N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide?
The InChIKey is WMHWOUBRCWHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(21)20-17-8-5-14(6-9-17)12-19-18-10-7-15-3-2-4-16(15)11-18/h5-11,19H,2-4,12H2,1H3,(H,20,21).
What are the key properties of N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide?
N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 784112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).