2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide

C21H11Cl4F3N2O3 — CID 19073039

IUPAC2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H11Cl4F3N2O3/c22-13-4-2-1-3-12(13)19(31)30-20(32)29-11-8-15(24)18(16(25)9-11)33-17-6-5-10(7-14(17)23)21(26,27)28/h1-9H,(H2,29,30,31,32)
InChIKeyOGQDATDTMMAUIE-UHFFFAOYSA-N
MW538.14 g/mol
LogP8.07
Rot. Bonds4

About 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide

2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide (PubChem CID 19073039) has the molecular formula C21H11Cl4F3N2O3 and a molecular weight of 538.14 g/mol. Its IUPAC name is 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
PubChem CID19073039
Molecular FormulaC21H11Cl4F3N2O3
Molecular Weight538.14 g/mol
Exact Mass535.95
IUPAC Name2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H11Cl4F3N2O3/c22-13-4-2-1-3-12(13)19(31)30-20(32)29-11-8-15(24)18(16(25)9-11)33-17-6-5-10(7-14(17)23)21(26,27)28/h1-9H,(H2,29,30,31,32)
InChIKeyOGQDATDTMMAUIE-UHFFFAOYSA-N
XLogP8.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.14
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 14441724
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[[3,5-dichloro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 22152458
2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide
CID 88660588
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide
CID 14441731
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide (CID 19073039) is 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
The InChIKey is OGQDATDTMMAUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl4F3N2O3/c22-13-4-2-1-3-12(13)19(31)30-20(32)29-11-8-15(24)18(16(25)9-11)33-17-6-5-10(7-14(17)23)21(26,27)28/h1-9H,(H2,29,30,31,32).
What are the key properties of 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide has a molecular weight of 538.14 g/mol, XLogP of 8.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 19073039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).