N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide

C19H18Cl2N2O4 — CID 1314763

IUPACN-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-14-4-2-12(3-5-14)18(24)22-17-15(10-13(20)11-16(17)21)19(25)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,22,24)
InChIKeyLQQFYXHUNITBSP-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.73
Rot. Bonds4

About N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide

N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide (PubChem CID 1314763) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide
PubChem CID1314763
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC NameN-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-14-4-2-12(3-5-14)18(24)22-17-15(10-13(20)11-16(17)21)19(25)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,22,24)
InChIKeyLQQFYXHUNITBSP-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide (CID 1314763) is N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide?
The InChIKey is LQQFYXHUNITBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-26-14-4-2-12(3-5-14)18(24)22-17-15(10-13(20)11-16(17)21)19(25)23-6-8-27-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,22,24).
What are the key properties of N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide?
N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide has a molecular weight of 409.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-6-(morpholine-4-carbonyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1314763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).