2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide

C19H9Cl3F4N2O3S — CID 88660588

IUPAC2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1cc(Cl)c(Oc2cc(C(F)(F)F)cs2)c(Cl)c1
InChIInChI=1S/C19H9Cl3F4N2O3S/c20-12-4-9(23)1-2-11(12)17(29)28-18(30)27-10-5-13(21)16(14(22)6-10)31-15-3-8(7-32-15)19(24,25)26/h1-7H,(H2,27,28,29,30)
InChIKeyHOKCZSRIWHGSLC-UHFFFAOYSA-N
MW527.71 g/mol
LogP7.62
Rot. Bonds4

About 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide

2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide (PubChem CID 88660588) has the molecular formula C19H9Cl3F4N2O3S and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide
PubChem CID88660588
Molecular FormulaC19H9Cl3F4N2O3S
Molecular Weight527.71 g/mol
Exact Mass525.93
IUPAC Name2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1cc(Cl)c(Oc2cc(C(F)(F)F)cs2)c(Cl)c1
InChIInChI=1S/C19H9Cl3F4N2O3S/c20-12-4-9(23)1-2-11(12)17(29)28-18(30)27-10-5-13(21)16(14(22)6-10)31-15-3-8(7-32-15)19(24,25)26/h1-7H,(H2,27,28,29,30)
InChIKeyHOKCZSRIWHGSLC-UHFFFAOYSA-N
XLogP7.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
2-amino-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11544848
2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide
CID 11681381
3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11617637
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
CID 13251606
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
CID 11530352
2-chloro-N-[[3,5-dichloro-4-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 22152458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide (CID 88660588) is 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide is O=C(NC(=O)c1ccc(F)cc1Cl)Nc1cc(Cl)c(Oc2cc(C(F)(F)F)cs2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide?
The InChIKey is HOKCZSRIWHGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl3F4N2O3S/c20-12-4-9(23)1-2-11(12)17(29)28-18(30)27-10-5-13(21)16(14(22)6-10)31-15-3-8(7-32-15)19(24,25)26/h1-7H,(H2,27,28,29,30).
What are the key properties of 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide?
2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide has a molecular weight of 527.71 g/mol, XLogP of 7.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3,5-dichloro-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]-4-fluorobenzamide is sourced from PubChem (CID 88660588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).