CID 11056385

C17H21ClNO3 — CID 11056385

IUPAC—
SMILESCCOC(=O)C1=C(c2ccc(Cl)cc2)C(C)(C)N([O])C1(C)C
InChIInChI=1S/C17H21ClNO3/c1-6-22-15(20)14-13(11-7-9-12(18)10-8-11)16(2,3)19(21)17(14,4)5/h7-10H,6H2,1-5H3
InChIKeyYOECNLRGHJCKBL-UHFFFAOYSA-N
MW322.81 g/mol
LogP3.88
Rot. Bonds3

About CID 11056385

CID 11056385 (PubChem CID 11056385) has the molecular formula C17H21ClNO3 and a molecular weight of 322.81 g/mol.

Molecular Properties

Compound NameCID 11056385
PubChem CID11056385
Molecular FormulaC17H21ClNO3
Molecular Weight322.81 g/mol
Exact Mass322.12
IUPAC Name—
SMILESCCOC(=O)C1=C(c2ccc(Cl)cc2)C(C)(C)N([O])C1(C)C
InChIInChI=1S/C17H21ClNO3/c1-6-22-15(20)14-13(11-7-9-12(18)10-8-11)16(2,3)19(21)17(14,4)5/h7-10H,6H2,1-5H3
InChIKeyYOECNLRGHJCKBL-UHFFFAOYSA-N
XLogP3.88
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11056385?
The IUPAC name of CID 11056385 (CID 11056385) is not available.
What is the SMILES notation for CID 11056385?
The canonical SMILES for CID 11056385 is CCOC(=O)C1=C(c2ccc(Cl)cc2)C(C)(C)N([O])C1(C)C.
What is the InChIKey of CID 11056385?
The InChIKey is YOECNLRGHJCKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClNO3/c1-6-22-15(20)14-13(11-7-9-12(18)10-8-11)16(2,3)19(21)17(14,4)5/h7-10H,6H2,1-5H3.
What are the key properties of CID 11056385?
CID 11056385 has a molecular weight of 322.81 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11056385 is sourced from PubChem (CID 11056385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).