N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide

C25H23BrClNO4 — CID 141337855

IUPACN-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide
SMILESCOc1cc(Br)ccc1CCNC(=O)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C25H23BrClNO4/c1-30-22-14-19(26)7-4-16(22)10-11-28-25(29)17-5-8-20(9-6-17)32-24-15-23-18(13-21(24)27)3-2-12-31-23/h4-9,13-15H,2-3,10-12H2,1H3,(H,28,29)
InChIKeyQWTQBDXOYMDBEV-UHFFFAOYSA-N
MW516.82 g/mol
LogP6.20
Rot. Bonds7

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

N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide (PubChem CID 141337855) has the molecular formula C25H23BrClNO4 and a molecular weight of 516.82 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide
PubChem CID141337855
Molecular FormulaC25H23BrClNO4
Molecular Weight516.82 g/mol
Exact Mass515.05
IUPAC NameN-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide
SMILESCOc1cc(Br)ccc1CCNC(=O)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C25H23BrClNO4/c1-30-22-14-19(26)7-4-16(22)10-11-28-25(29)17-5-8-20(9-6-17)32-24-15-23-18(13-21(24)27)3-2-12-31-23/h4-9,13-15H,2-3,10-12H2,1H3,(H,28,29)
InChIKeyQWTQBDXOYMDBEV-UHFFFAOYSA-N
XLogP6.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.82
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 7-[4-[2-(4-bromo-2-methoxyphenyl)ethylcarbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylate
CID 44599425
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(Z)-4-(2-chlorophenyl)but-3-enyl]benzamide
CID 141337846
ethyl 6-chloro-7-[4-[2-(4-chloro-2-methoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
CID 67080996
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
sodium 6-chloro-7-[4-[2-(4-cyclopropyl-2-methoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
CID 44599427
4-[[6-chloro-4-[(Z)-1-hydroxybut-1-enyl]-3,4-dihydro-2H-chromen-7-yl]oxy]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 70943131
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-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 44600871
[6-chloro-7-[4-[2-[4-chloro-2-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromen-4-yl] hydrogen carbonate
CID 90339935
7-[4-[2-(2-bromo-4-chlorophenyl)ethylcarbamoyl]phenoxy]-6-chloro-N-oxo-3,4-dihydro-2H-chromene-4-carboxamide
CID 163641488
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
sodium 6-chloro-7-[4-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
CID 44600553

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide?
The IUPAC name of N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide (CID 141337855) is N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide?
The canonical SMILES for N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide is COc1cc(Br)ccc1CCNC(=O)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1.
What is the InChIKey of N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide?
The InChIKey is QWTQBDXOYMDBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrClNO4/c1-30-22-14-19(26)7-4-16(22)10-11-28-25(29)17-5-8-20(9-6-17)32-24-15-23-18(13-21(24)27)3-2-12-31-23/h4-9,13-15H,2-3,10-12H2,1H3,(H,28,29).
What are the key properties of N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide?
N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide has a molecular weight of 516.82 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide is sourced from PubChem (CID 141337855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).