4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide

C26H23Cl2NO3 — CID 141337853

IUPAC4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide
SMILESO=C(NCC1CCc2cc(Cl)ccc21)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C26H23Cl2NO3/c27-20-7-10-22-17(12-20)3-4-19(22)15-29-26(30)16-5-8-21(9-6-16)32-25-14-24-18(13-23(25)28)2-1-11-31-24/h5-10,12-14,19H,1-4,11,15H2,(H,29,30)
InChIKeyMGVMJJDKJPHYQC-UHFFFAOYSA-N
MW468.38 g/mol
LogP6.57
Rot. Bonds5

About 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide

4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide (PubChem CID 141337853) has the molecular formula C26H23Cl2NO3 and a molecular weight of 468.38 g/mol. Its IUPAC name is 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide
PubChem CID141337853
Molecular FormulaC26H23Cl2NO3
Molecular Weight468.38 g/mol
Exact Mass467.11
IUPAC Name4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide
SMILESO=C(NCC1CCc2cc(Cl)ccc21)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C26H23Cl2NO3/c27-20-7-10-22-17(12-20)3-4-19(22)15-29-26(30)16-5-8-21(9-6-16)32-25-14-24-18(13-23(25)28)2-1-11-31-24/h5-10,12-14,19H,1-4,11,15H2,(H,29,30)
InChIKeyMGVMJJDKJPHYQC-UHFFFAOYSA-N
XLogP6.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(Z)-4-(2-chlorophenyl)but-3-enyl]benzamide
CID 141337846
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide
CID 67426860
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-[2-(4-chloro-2-methylsulfanylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67080392
6-chloro-7-[4-[4-(2,4-dichlorophenyl)but-3-enylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67080313
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide
CID 67426118
7-[4-[2-(2-bromo-4-chlorophenyl)ethylcarbamoyl]phenoxy]-6-chloro-N-oxo-3,4-dihydro-2H-chromene-4-carboxamide
CID 163641488
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978
(4S)-6-chloro-7-[4-[2-(4-chloro-2-cyclopropylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 134822690
(4R)-6-chloro-7-[4-[2-(4-chloro-2-cyclopropylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 134822689
ethyl 6-chloro-7-[4-[2-(4-chloro-2-methoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
CID 67080996

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide?
The IUPAC name of 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) is 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide is O=C(NCC1CCc2cc(Cl)ccc21)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1.
What is the InChIKey of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide?
The InChIKey is MGVMJJDKJPHYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2NO3/c27-20-7-10-22-17(12-20)3-4-19(22)15-29-26(30)16-5-8-21(9-6-16)32-25-14-24-18(13-23(25)28)2-1-11-31-24/h5-10,12-14,19H,1-4,11,15H2,(H,29,30).
What are the key properties of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide?
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide has a molecular weight of 468.38 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide is sourced from PubChem (CID 141337853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).