1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide

C27H18Cl4N2O3 — CID 10303103

IUPAC1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C27H18Cl4N2O3/c28-22-8-6-19(13-24(22)30)32-26(34)17-10-18(27(35)33-20-7-9-23(29)25(31)14-20)12-21(11-17)36-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,32,34)(H,33,35)
InChIKeyUEIKZMSETCIBFL-UHFFFAOYSA-N
MW560.26 g/mol
LogP8.38
Rot. Bonds7

About 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide (PubChem CID 10303103) has the molecular formula C27H18Cl4N2O3 and a molecular weight of 560.26 g/mol. Its IUPAC name is 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
PubChem CID10303103
Molecular FormulaC27H18Cl4N2O3
Molecular Weight560.26 g/mol
Exact Mass558.01
IUPAC Name1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C27H18Cl4N2O3/c28-22-8-6-19(13-24(22)30)32-26(34)17-10-18(27(35)33-20-7-9-23(29)25(31)14-20)12-21(11-17)36-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,32,34)(H,33,35)
InChIKeyUEIKZMSETCIBFL-UHFFFAOYSA-N
XLogP8.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.26
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide
CID 10191103
5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 18763446
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide (CID 10303103) is 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide?
The InChIKey is UEIKZMSETCIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl4N2O3/c28-22-8-6-19(13-24(22)30)32-26(34)17-10-18(27(35)33-20-7-9-23(29)25(31)14-20)12-21(11-17)36-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,32,34)(H,33,35).
What are the key properties of 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide has a molecular weight of 560.26 g/mol, XLogP of 8.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 10303103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).