3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide

C23H18Cl2N2O3 — CID 18673945

IUPAC3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
SMILESCCOC1=CCc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cccc21
InChIInChI=1S/C23H18Cl2N2O3/c1-2-29-20-10-8-17-16(20)4-3-5-21(17)30-22-11-7-15(13-26-22)27-23(28)14-6-9-18(24)19(25)12-14/h3-7,9-13H,2,8H2,1H3,(H,27,28)
InChIKeyRLRPJROWXUPNML-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.37
Rot. Bonds6

About 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide

3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide (PubChem CID 18673945) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
PubChem CID18673945
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC Name3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
SMILESCCOC1=CCc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cccc21
InChIInChI=1S/C23H18Cl2N2O3/c1-2-29-20-10-8-17-16(20)4-3-5-21(17)30-22-11-7-15(13-26-22)27-23(28)14-6-9-18(24)19(25)12-14/h3-7,9-13H,2,8H2,1H3,(H,27,28)
InChIKeyRLRPJROWXUPNML-UHFFFAOYSA-N
XLogP6.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
CID 87952683
N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide
CID 18673893
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
CID 141132288
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea
CID 18673943
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
CID 69191827
ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
N-[6-[4-(2-amino-2-hydroxyiminoethyl)phenoxy]-3-pyridinyl]-3,4-dichlorobenzamide
CID 86616532
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]butanoic acid
CID 68527065

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide (CID 18673945) is 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide is CCOC1=CCc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cccc21.
What is the InChIKey of 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide?
The InChIKey is RLRPJROWXUPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-2-29-20-10-8-17-16(20)4-3-5-21(17)30-22-11-7-15(13-26-22)27-23(28)14-6-9-18(24)19(25)12-14/h3-7,9-13H,2,8H2,1H3,(H,27,28).
What are the key properties of 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide?
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide has a molecular weight of 441.31 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 18673945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).