3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide

C19H18Cl2N2O5 — CID 23204628

IUPAC3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(C(N)=O)cc2Cl)cc1OC1CCOC1
InChIInChI=1S/C19H18Cl2N2O5/c1-26-15-3-2-10(8-16(15)28-12-4-5-27-9-12)19(25)23-17-13(20)6-11(18(22)24)7-14(17)21/h2-3,6-8,12H,4-5,9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyIJKXUQMVNVGMEN-UHFFFAOYSA-N
MW425.27 g/mol
LogP3.52
Rot. Bonds6

About 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide

3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide (PubChem CID 23204628) has the molecular formula C19H18Cl2N2O5 and a molecular weight of 425.27 g/mol. Its IUPAC name is 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
PubChem CID23204628
Molecular FormulaC19H18Cl2N2O5
Molecular Weight425.27 g/mol
Exact Mass424.06
IUPAC Name3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(C(N)=O)cc2Cl)cc1OC1CCOC1
InChIInChI=1S/C19H18Cl2N2O5/c1-26-15-3-2-10(8-16(15)28-12-4-5-27-9-12)19(25)23-17-13(20)6-11(18(22)24)7-14(17)21/h2-3,6-8,12H,4-5,9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyIJKXUQMVNVGMEN-UHFFFAOYSA-N
XLogP3.52
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 53.52
H-Bond Donors ≤ 52
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
N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204629
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
4-methoxy-3-(oxepan-4-ylamino)benzamide
CID 65081746
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124725428

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide?
The IUPAC name of 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide (CID 23204628) is 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide.
What is the SMILES notation for 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide?
The canonical SMILES for 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide is COc1ccc(C(=O)Nc2c(Cl)cc(C(N)=O)cc2Cl)cc1OC1CCOC1.
What is the InChIKey of 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide?
The InChIKey is IJKXUQMVNVGMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O5/c1-26-15-3-2-10(8-16(15)28-12-4-5-27-9-12)19(25)23-17-13(20)6-11(18(22)24)7-14(17)21/h2-3,6-8,12H,4-5,9H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide?
3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide has a molecular weight of 425.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide is sourced from PubChem (CID 23204628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).