N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide

C15H17ClN2O2 — CID 138037756

IUPACN-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H17ClN2O2/c1-3-15(20)18(2)9-14(19)17-13-7-4-10-8-11(16)5-6-12(10)13/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,17,19)/t13-/m0/s1
InChIKeySFAVPOLFBSOWNT-ZDUSSCGKSA-N
MW292.77 g/mol
LogP2.09
Rot. Bonds4

About N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 138037756) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID138037756
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H17ClN2O2/c1-3-15(20)18(2)9-14(19)17-13-7-4-10-8-11(16)5-6-12(10)13/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,17,19)/t13-/m0/s1
InChIKeySFAVPOLFBSOWNT-ZDUSSCGKSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide (CID 138037756) is N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)N[C@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is SFAVPOLFBSOWNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-15(20)18(2)9-14(19)17-13-7-4-10-8-11(16)5-6-12(10)13/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 292.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 138037756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).