(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

C18H17ClN2O4 — CID 56602367

IUPAC(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESO=C(NC1CCc2ccc(C(=O)NO)cc2C1)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c19-14-4-7-16(8-5-14)25-18(23)20-15-6-3-11-1-2-12(17(22)21-24)9-13(11)10-15/h1-2,4-5,7-9,15,24H,3,6,10H2,(H,20,23)(H,21,22)
InChIKeyILXMGXWRBWYLSG-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.10
Rot. Bonds3

About (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 56602367) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID56602367
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESO=C(NC1CCc2ccc(C(=O)NO)cc2C1)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c19-14-4-7-16(8-5-14)25-18(23)20-15-6-3-11-1-2-12(17(22)21-24)9-13(11)10-15/h1-2,4-5,7-9,15,24H,3,6,10H2,(H,20,23)(H,21,22)
InChIKeyILXMGXWRBWYLSG-UHFFFAOYSA-N
XLogP3.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 56602367) is (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is O=C(NC1CCc2ccc(C(=O)NO)cc2C1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is ILXMGXWRBWYLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-14-4-7-16(8-5-14)25-18(23)20-15-6-3-11-1-2-12(17(22)21-24)9-13(11)10-15/h1-2,4-5,7-9,15,24H,3,6,10H2,(H,20,23)(H,21,22).
What are the key properties of (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate has a molecular weight of 360.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 56602367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).