N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide

C20H21Cl2NO2 — CID 39913975

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H21Cl2NO2/c1-23(14-15-6-5-9-17(21)18(15)22)19(24)20(10-12-25-13-11-20)16-7-3-2-4-8-16/h2-9H,10-14H2,1H3
InChIKeySLJFXVBUHXMFMR-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.70
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide

N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide (PubChem CID 39913975) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
PubChem CID39913975
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H21Cl2NO2/c1-23(14-15-6-5-9-17(21)18(15)22)19(24)20(10-12-25-13-11-20)16-7-3-2-4-8-16/h2-9H,10-14H2,1H3
InChIKeySLJFXVBUHXMFMR-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide (CID 39913975) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
The InChIKey is SLJFXVBUHXMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-23(14-15-6-5-9-17(21)18(15)22)19(24)20(10-12-25-13-11-20)16-7-3-2-4-8-16/h2-9H,10-14H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 39913975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).