(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide

C17H16ClNO — CID 40569777

IUPAC(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)CCC2)[C@@H](Cl)c1ccccc1
InChIInChI=1S/C17H16ClNO/c18-16(13-5-2-1-3-6-13)17(20)19-15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11,16H,4,7-8H2,(H,19,20)/t16-/m0/s1
InChIKeySBPCYFGGNIWKCE-INIZCTEOSA-N
MW285.77 g/mol
LogP4.09
Rot. Bonds3

About (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide

(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide (PubChem CID 40569777) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
PubChem CID40569777
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)CCC2)[C@@H](Cl)c1ccccc1
InChIInChI=1S/C17H16ClNO/c18-16(13-5-2-1-3-6-13)17(20)19-15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11,16H,4,7-8H2,(H,19,20)/t16-/m0/s1
InChIKeySBPCYFGGNIWKCE-INIZCTEOSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749895
N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide
CID 42704160
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 3538442
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
CID 115185813
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7761053

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide (CID 40569777) is (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide is O=C(Nc1ccc2c(c1)CCC2)[C@@H](Cl)c1ccccc1.
What is the InChIKey of (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide?
The InChIKey is SBPCYFGGNIWKCE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-16(13-5-2-1-3-6-13)17(20)19-15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11,16H,4,7-8H2,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide?
(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide has a molecular weight of 285.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide is sourced from PubChem (CID 40569777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).