[(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium

C20H24ClN2O2+ — CID 8937185

IUPAC[(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-23(2)12-18(14-6-4-3-5-7-14)22-20(24)16-10-15-11-17(21)8-9-19(15)25-13-16/h3-9,11,16,18H,10,12-13H2,1-2H3,(H,22,24)/p+1/t16-,18-/m1/s1
InChIKeyBYBHDNJHXOPINX-SJLPKXTDSA-O
MW359.88 g/mol
LogP1.89
Rot. Bonds5

About [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium

[(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8937185) has the molecular formula C20H24ClN2O2+ and a molecular weight of 359.88 g/mol. Its IUPAC name is [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium
PubChem CID8937185
Molecular FormulaC20H24ClN2O2+
Molecular Weight359.88 g/mol
Exact Mass359.15
IUPAC Name[(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-23(2)12-18(14-6-4-3-5-7-14)22-20(24)16-10-15-11-17(21)8-9-19(15)25-13-16/h3-9,11,16,18H,10,12-13H2,1-2H3,(H,22,24)/p+1/t16-,18-/m1/s1
InChIKeyBYBHDNJHXOPINX-SJLPKXTDSA-O
XLogP1.89
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium with MolForge

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Related Compounds

6-chloro-N-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 110001475
(3S)-3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 129360459
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9092926
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665
6-chloro-N-[2-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119438781
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8645854
(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870253
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-phenylbutanoic acid
CID 119201079
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium (CID 8937185) is [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium is C[NH+](C)C[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccccc1.
What is the InChIKey of [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is BYBHDNJHXOPINX-SJLPKXTDSA-O. The full InChI is InChI=1S/C20H23ClN2O2/c1-23(2)12-18(14-6-4-3-5-7-14)22-20(24)16-10-15-11-17(21)8-9-19(15)25-13-16/h3-9,11,16,18H,10,12-13H2,1-2H3,(H,22,24)/p+1/t16-,18-/m1/s1.
What are the key properties of [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium?
[(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 359.88 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8937185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).