N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide

C19H19Cl2NO5 — CID 23204629

IUPACN-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(OC)c(OC3CCOC3)c2)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO5/c1-24-13-8-14(20)18(15(21)9-13)22-19(23)11-3-4-16(25-2)17(7-11)27-12-5-6-26-10-12/h3-4,7-9,12H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyPAIDHQJKICTSNU-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.43
Rot. Bonds6

About N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide

N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide (PubChem CID 23204629) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
PubChem CID23204629
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC NameN-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(OC)c(OC3CCOC3)c2)c(Cl)c1
InChIInChI=1S/C19H19Cl2NO5/c1-24-13-8-14(20)18(15(21)9-13)22-19(23)11-3-4-16(25-2)17(7-11)27-12-5-6-26-10-12/h3-4,7-9,12H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyPAIDHQJKICTSNU-UHFFFAOYSA-N
XLogP4.43
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204726
3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
CID 23204628
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204555
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
N-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-5-methoxy-1-oxido-4-(oxolan-3-yloxy)pyridin-1-ium-2-carboxamide
CID 135515535
3-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-oxopropanal
CID 58883405
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-6-(oxolan-3-yloxy)pyridine-2-carboxamide
CID 23204546
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124615990
N-(2,4-dimethoxyphenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730426
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide (CID 23204629) is N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide is COc1cc(Cl)c(NC(=O)c2ccc(OC)c(OC3CCOC3)c2)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The InChIKey is PAIDHQJKICTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-24-13-8-14(20)18(15(21)9-13)22-19(23)11-3-4-16(25-2)17(7-11)27-12-5-6-26-10-12/h3-4,7-9,12H,5-6,10H2,1-2H3,(H,22,23).
What are the key properties of N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide has a molecular weight of 412.27 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 23204629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).