3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide

C22H18Cl3NO3 — CID 3447717

IUPAC3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1
InChIInChI=1S/C22H18Cl3NO3/c1-13-3-5-14(6-4-13)12-29-21-19(25)9-15(10-20(21)28-2)22(27)26-16-7-8-17(23)18(24)11-16/h3-11H,12H2,1-2H3,(H,26,27)
InChIKeyFGHRFQPTMPSASE-UHFFFAOYSA-N
MW450.75 g/mol
LogP6.80
Rot. Bonds6

About 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide

3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide (PubChem CID 3447717) has the molecular formula C22H18Cl3NO3 and a molecular weight of 450.75 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
PubChem CID3447717
Molecular FormulaC22H18Cl3NO3
Molecular Weight450.75 g/mol
Exact Mass449.04
IUPAC Name3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1
InChIInChI=1S/C22H18Cl3NO3/c1-13-3-5-14(6-4-13)12-29-21-19(25)9-15(10-20(21)28-2)22(27)26-16-7-8-17(23)18(24)11-16/h3-11H,12H2,1-2H3,(H,26,27)
InChIKeyFGHRFQPTMPSASE-UHFFFAOYSA-N
XLogP6.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5036494
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
CID 4539305
3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5178991
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide (CID 3447717) is 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide is COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1.
What is the InChIKey of 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is FGHRFQPTMPSASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3NO3/c1-13-3-5-14(6-4-13)12-29-21-19(25)9-15(10-20(21)28-2)22(27)26-16-7-8-17(23)18(24)11-16/h3-11H,12H2,1-2H3,(H,26,27).
What are the key properties of 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide?
3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 450.75 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 3447717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).