1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide

C37H21Cl3F9N3O4 — CID 10191103

IUPAC1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(COc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C37H21Cl3F9N3O4/c38-29-7-4-22(14-26(29)35(41,42)43)50-32(53)19-3-1-2-18(10-19)17-56-25-12-20(33(54)51-23-5-8-30(39)27(15-23)36(44,45)46)11-21(13-25)34(55)52-24-6-9-31(40)28(16-24)37(47,48)49/h1-16H,17H2,(H,50,53)(H,51,54)(H,52,55)
InChIKeyFPHIQYGXXYFCRG-UHFFFAOYSA-N
MW848.93 g/mol
LogP12.04
Rot. Bonds9

About 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide

1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide (PubChem CID 10191103) has the molecular formula C37H21Cl3F9N3O4 and a molecular weight of 848.93 g/mol. Its IUPAC name is 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide
PubChem CID10191103
Molecular FormulaC37H21Cl3F9N3O4
Molecular Weight848.93 g/mol
Exact Mass847.05
IUPAC Name1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(COc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C37H21Cl3F9N3O4/c38-29-7-4-22(14-26(29)35(41,42)43)50-32(53)19-3-1-2-18(10-19)17-56-25-12-20(33(54)51-23-5-8-30(39)27(15-23)36(44,45)46)11-21(13-25)34(55)52-24-6-9-31(40)28(16-24)37(47,48)49/h1-16H,17H2,(H,50,53)(H,51,54)(H,52,55)
InChIKeyFPHIQYGXXYFCRG-UHFFFAOYSA-N
XLogP12.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.93
LogP ≤ 512.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 112832589
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide?
The IUPAC name of 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) is 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(COc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide?
The InChIKey is FPHIQYGXXYFCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21Cl3F9N3O4/c38-29-7-4-22(14-26(29)35(41,42)43)50-32(53)19-3-1-2-18(10-19)17-56-25-12-20(33(54)51-23-5-8-30(39)27(15-23)36(44,45)46)11-21(13-25)34(55)52-24-6-9-31(40)28(16-24)37(47,48)49/h1-16H,17H2,(H,50,53)(H,51,54)(H,52,55).
What are the key properties of 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide?
1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide has a molecular weight of 848.93 g/mol, XLogP of 12.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methoxy]benzene-1,3-dicarboxamide is sourced from PubChem (CID 10191103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).