4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide

C27H20Cl2N2O3 — CID 67426860

IUPAC4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(Cl)cc2)n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C27H20Cl2N2O3/c28-20-10-6-17(7-11-20)23-4-1-5-26(30-23)31-27(32)18-8-12-21(13-9-18)34-25-16-24-19(15-22(25)29)3-2-14-33-24/h1,4-13,15-16H,2-3,14H2,(H,30,31,32)
InChIKeyVXTFBDSVOBCNQM-UHFFFAOYSA-N
MW491.37 g/mol
LogP7.43
Rot. Bonds5

About 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide

4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide (PubChem CID 67426860) has the molecular formula C27H20Cl2N2O3 and a molecular weight of 491.37 g/mol. Its IUPAC name is 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide
PubChem CID67426860
Molecular FormulaC27H20Cl2N2O3
Molecular Weight491.37 g/mol
Exact Mass490.09
IUPAC Name4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(Cl)cc2)n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C27H20Cl2N2O3/c28-20-10-6-17(7-11-20)23-4-1-5-26(30-23)31-27(32)18-8-12-21(13-9-18)34-25-16-24-19(15-22(25)29)3-2-14-33-24/h1,4-13,15-16H,2-3,14H2,(H,30,31,32)
InChIKeyVXTFBDSVOBCNQM-UHFFFAOYSA-N
XLogP7.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide
CID 67426118
[6-chloro-7-[4-[[6-(3,4-dichlorophenyl)-2-pyridinyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromen-4-yl] hydrogen carbonate
CID 121392723
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide
CID 141337853
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(Z)-4-(2-chlorophenyl)but-3-enyl]benzamide
CID 141337846
sodium 6,8-dichloro-7-[4-[[6-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
CID 67287581
6-chloro-7-[4-[[6-(4-chlorophenyl)-5-fluoro-2-pyridinyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67287015
4-[[6-chloro-4-[(Z)-1-hydroxyprop-1-enyl]-3,4-dihydro-2H-chromen-7-yl]oxy]-N-(6-phenylpyrazin-2-yl)benzamide
CID 70870869
6-chloro-7-[4-[(6-chloroquinolin-2-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67287361
N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide
CID 141337855
[6-chloro-7-[4-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromen-4-yl] hydrogen carbonate
CID 121392738
4-[[6-chloro-4-(1-hydroxyethenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-N-[4-(4-chlorophenyl)-2-pyridinyl]benzamide
CID 89050649
6-chloro-7-[4-[(6-chloroquinoxalin-2-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 46701752

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide (CID 67426860) is 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide is O=C(Nc1cccc(-c2ccc(Cl)cc2)n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1.
What is the InChIKey of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide?
The InChIKey is VXTFBDSVOBCNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O3/c28-20-10-6-17(7-11-20)23-4-1-5-26(30-23)31-27(32)18-8-12-21(13-9-18)34-25-16-24-19(15-22(25)29)3-2-14-33-24/h1,4-13,15-16H,2-3,14H2,(H,30,31,32).
What are the key properties of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide?
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide has a molecular weight of 491.37 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 67426860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).