[3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone

C25H19Cl2NO3 — CID 67261329

IUPAC[3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone
SMILESCOc1cc(OCc2ccc(Cl)cc2)cc(C(=O)n2cccc2-c2ccccc2Cl)c1
InChIInChI=1S/C25H19Cl2NO3/c1-30-20-13-18(14-21(15-20)31-16-17-8-10-19(26)11-9-17)25(29)28-12-4-7-24(28)22-5-2-3-6-23(22)27/h2-15H,16H2,1H3
InChIKeyBGWZINGRLSLWJD-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.74
Rot. Bonds6

About [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone

[3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone (PubChem CID 67261329) has the molecular formula C25H19Cl2NO3 and a molecular weight of 452.34 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone
PubChem CID67261329
Molecular FormulaC25H19Cl2NO3
Molecular Weight452.34 g/mol
Exact Mass451.07
IUPAC Name[3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone
SMILESCOc1cc(OCc2ccc(Cl)cc2)cc(C(=O)n2cccc2-c2ccccc2Cl)c1
InChIInChI=1S/C25H19Cl2NO3/c1-30-20-13-18(14-21(15-20)31-16-17-8-10-19(26)11-9-17)25(29)28-12-4-7-24(28)22-5-2-3-6-23(22)27/h2-15H,16H2,1H3
InChIKeyBGWZINGRLSLWJD-UHFFFAOYSA-N
XLogP6.74
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-1-[3-[(4-chlorophenyl)methoxy]-5-methoxybenzoyl]pyrrolidine-2-carboxylic acid
CID 67258668
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
3,5-bis[[4-[4-(4-methoxyphenyl)naphthalen-1-yl]phenyl]methoxy]benzoate
CID 101386892
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
5-[[4-[(3,5-dicarbonochloridoylphenoxy)methyl]phenyl]methoxy]benzene-1,3-dicarbonyl chloride
CID 10816271
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
3-methoxy-5-phenylmethoxyaniline
CID 12658785
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 43411968

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone?
The IUPAC name of [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone (CID 67261329) is [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone?
The canonical SMILES for [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone is COc1cc(OCc2ccc(Cl)cc2)cc(C(=O)n2cccc2-c2ccccc2Cl)c1.
What is the InChIKey of [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone?
The InChIKey is BGWZINGRLSLWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO3/c1-30-20-13-18(14-21(15-20)31-16-17-8-10-19(26)11-9-17)25(29)28-12-4-7-24(28)22-5-2-3-6-23(22)27/h2-15H,16H2,1H3.
What are the key properties of [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone?
[3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone has a molecular weight of 452.34 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-[2-(2-chlorophenyl)pyrrol-1-yl]methanone is sourced from PubChem (CID 67261329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).