N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline

C27H23Cl2NO3 — CID 126121340

IUPACN-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline
SMILESCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1
InChIInChI=1S/C27H23Cl2NO3/c1-31-26-16-20(15-25(29)27(26)32-18-19-6-5-7-21(28)14-19)17-30-22-10-12-24(13-11-22)33-23-8-3-2-4-9-23/h2-16,30H,17-18H2,1H3
InChIKeyJPNFMDMTDRPXCW-UHFFFAOYSA-N
MW480.39 g/mol
LogP7.99
Rot. Bonds9

About N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline

N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline (PubChem CID 126121340) has the molecular formula C27H23Cl2NO3 and a molecular weight of 480.39 g/mol. Its IUPAC name is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline
PubChem CID126121340
Molecular FormulaC27H23Cl2NO3
Molecular Weight480.39 g/mol
Exact Mass479.11
IUPAC NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline
SMILESCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1
InChIInChI=1S/C27H23Cl2NO3/c1-31-26-16-20(15-25(29)27(26)32-18-19-6-5-7-21(28)14-19)17-30-22-10-12-24(13-11-22)33-23-8-3-2-4-9-23/h2-16,30H,17-18H2,1H3
InChIKeyJPNFMDMTDRPXCW-UHFFFAOYSA-N
XLogP7.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126118175
N-[[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126115684
N-[[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methoxyaniline
CID 126119117
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126127653
4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126183393
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloroaniline
CID 5135171
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-ethoxyaniline
CID 126116410
3-chloro-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 5190923
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126189717
2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126184186
N-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methyl]-4-phenoxyaniline
CID 126128627

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline (CID 126121340) is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline is COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline?
The InChIKey is JPNFMDMTDRPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2NO3/c1-31-26-16-20(15-25(29)27(26)32-18-19-6-5-7-21(28)14-19)17-30-22-10-12-24(13-11-22)33-23-8-3-2-4-9-23/h2-16,30H,17-18H2,1H3.
What are the key properties of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline?
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline has a molecular weight of 480.39 g/mol, XLogP of 7.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126121340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).