(2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate

C18H17ClN2O5 — CID 163392706

IUPAC(2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
SMILESO=C(Nc1cccc2c1O[C@H](C(=O)NO)CC2)OCc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O5/c19-13-6-2-1-4-12(13)10-25-18(23)20-14-7-3-5-11-8-9-15(17(22)21-24)26-16(11)14/h1-7,15,24H,8-10H2,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyFGETUSCWLXHNOD-HNNXBMFYSA-N
MW376.80 g/mol
LogP3.29
Rot. Bonds4

About (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate

(2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate (PubChem CID 163392706) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
PubChem CID163392706
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name(2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
SMILESO=C(Nc1cccc2c1O[C@H](C(=O)NO)CC2)OCc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O5/c19-13-6-2-1-4-12(13)10-25-18(23)20-14-7-3-5-11-8-9-15(17(22)21-24)26-16(11)14/h1-7,15,24H,8-10H2,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyFGETUSCWLXHNOD-HNNXBMFYSA-N
XLogP3.29
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
The IUPAC name of (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate (CID 163392706) is (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate.
What is the SMILES notation for (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
The canonical SMILES for (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate is O=C(Nc1cccc2c1O[C@H](C(=O)NO)CC2)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
The InChIKey is FGETUSCWLXHNOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c19-13-6-2-1-4-12(13)10-25-18(23)20-14-7-3-5-11-8-9-15(17(22)21-24)26-16(11)14/h1-7,15,24H,8-10H2,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
(2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate has a molecular weight of 376.80 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate is sourced from PubChem (CID 163392706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).