N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide

C23H18Cl2N2O4 — CID 59451502

IUPACN-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2)c(OC)c1
InChIInChI=1S/C23H18Cl2N2O4/c1-29-17-4-5-19(21(11-17)30-2)23(28)27-13-14-3-6-20(25)22(9-14)31-18-8-15(12-26)7-16(24)10-18/h3-11H,13H2,1-2H3,(H,27,28)
InChIKeyLSBBVYFQKHNWAV-UHFFFAOYSA-N
MW457.31 g/mol
LogP5.60
Rot. Bonds7

About N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide

N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide (PubChem CID 59451502) has the molecular formula C23H18Cl2N2O4 and a molecular weight of 457.31 g/mol. Its IUPAC name is N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide
PubChem CID59451502
Molecular FormulaC23H18Cl2N2O4
Molecular Weight457.31 g/mol
Exact Mass456.06
IUPAC NameN-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2)c(OC)c1
InChIInChI=1S/C23H18Cl2N2O4/c1-29-17-4-5-19(21(11-17)30-2)23(28)27-13-14-3-6-20(25)22(9-14)31-18-8-15(12-26)7-16(24)10-18/h3-11H,13H2,1-2H3,(H,27,28)
InChIKeyLSBBVYFQKHNWAV-UHFFFAOYSA-N
XLogP5.60
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.31
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methylcarbamoyl]benzoic acid
CID 123975807
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide
CID 89041845
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 89218665
2-chloro-N-[[4-chloro-2-(3-chloro-5-cyanophenoxy)phenyl]methyl]-4-methylsulfonylbenzamide
CID 68795047
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl chloride
CID 21079734
N-[(4-chloro-3-methoxyphenyl)methyl]-5-cyano-2-(1-hydroxybutan-2-ylamino)benzamide
CID 70112914
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide (CID 59451502) is N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2)c(OC)c1.
What is the InChIKey of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide?
The InChIKey is LSBBVYFQKHNWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O4/c1-29-17-4-5-19(21(11-17)30-2)23(28)27-13-14-3-6-20(25)22(9-14)31-18-8-15(12-26)7-16(24)10-18/h3-11H,13H2,1-2H3,(H,27,28).
What are the key properties of N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide?
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide has a molecular weight of 457.31 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 59451502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).