2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide

C16H14ClNO — CID 26288569

IUPAC2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H14ClNO/c17-14-8-4-3-7-13(14)16(19)18-15-10-9-11-5-1-2-6-12(11)15/h1-8,15H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKeyMBTSGRRVOPIJLL-HNNXBMFYSA-N
MW271.75 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 26288569) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID26288569
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H14ClNO/c17-14-8-4-3-7-13(14)16(19)18-15-10-9-11-5-1-2-6-12(11)15/h1-8,15H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKeyMBTSGRRVOPIJLL-HNNXBMFYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 59505213
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 26288569) is 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@H]1CCc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is MBTSGRRVOPIJLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-8-4-3-7-13(14)16(19)18-15-10-9-11-5-1-2-6-12(11)15/h1-8,15H,9-10H2,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide?
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 271.75 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 26288569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).