3-(2,3-dihydro-1H-inden-1-ylamino)benzamide

C16H16N2O — CID 43202872

IUPAC3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C16H16N2O/c17-16(19)12-5-3-6-13(10-12)18-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,18H,8-9H2,(H2,17,19)
InChIKeyDDSWGZNATMRYFQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.88
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide

3-(2,3-dihydro-1H-inden-1-ylamino)benzamide (PubChem CID 43202872) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
PubChem CID43202872
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C16H16N2O/c17-16(19)12-5-3-6-13(10-12)18-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,18H,8-9H2,(H2,17,19)
InChIKeyDDSWGZNATMRYFQ-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115465981
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118
ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
CID 43321711
N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43672235
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoic acid
CID 43774510
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 103846407

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide (CID 43202872) is 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide is NC(=O)c1cccc(NC2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide?
The InChIKey is DDSWGZNATMRYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(19)12-5-3-6-13(10-12)18-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,18H,8-9H2,(H2,17,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide?
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide has a molecular weight of 252.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-ylamino)benzamide is sourced from PubChem (CID 43202872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).