(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide

C17H17ClN2O — CID 95582124

IUPAC(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-14-8-4-7-13-12(14)9-10-15(13)20-16(17(19)21)11-5-2-1-3-6-11/h1-8,15-16,20H,9-10H2,(H2,19,21)/t15-,16+/m0/s1
InChIKeyDMIQJJXECSMPLV-JKSUJKDBSA-N
MW300.79 g/mol
LogP3.14
Rot. Bonds4

About (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide

(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide (PubChem CID 95582124) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
PubChem CID95582124
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-14-8-4-7-13-12(14)9-10-15(13)20-16(17(19)21)11-5-2-1-3-6-11/h1-8,15-16,20H,9-10H2,(H2,19,21)/t15-,16+/m0/s1
InChIKeyDMIQJJXECSMPLV-JKSUJKDBSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide with MolForge

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Related Compounds

[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582106
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110904136
2-(chloroamino)-2-phenylacetamide
CID 89152727
(2R)-2-[[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylacetamide
CID 94808904
1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
CID 56819408
(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
CID 119302125
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 119746692
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenoxy-2-phenylacetamide
CID 86949742

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide (CID 95582124) is (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide is NC(=O)[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
The InChIKey is DMIQJJXECSMPLV-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-8-4-7-13-12(14)9-10-15(13)20-16(17(19)21)11-5-2-1-3-6-11/h1-8,15-16,20H,9-10H2,(H2,19,21)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide?
(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide has a molecular weight of 300.79 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 95582124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).