2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide

C23H16Cl2F4N2O4 — CID 14100472

IUPAC2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccccc2Cl)ccc1OC(F)(F)C(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C23H16Cl2F4N2O4/c1-34-19-12-15(30-21(33)31-20(32)16-7-2-3-8-17(16)25)9-10-18(19)35-23(28,29)22(26,27)13-5-4-6-14(24)11-13/h2-12H,1H3,(H2,30,31,32,33)
InChIKeyFGBHLMVVARHQNV-UHFFFAOYSA-N
MW531.29 g/mol
LogP6.73
Rot. Bonds7

About 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide

2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide (PubChem CID 14100472) has the molecular formula C23H16Cl2F4N2O4 and a molecular weight of 531.29 g/mol. Its IUPAC name is 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide
PubChem CID14100472
Molecular FormulaC23H16Cl2F4N2O4
Molecular Weight531.29 g/mol
Exact Mass530.04
IUPAC Name2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccccc2Cl)ccc1OC(F)(F)C(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C23H16Cl2F4N2O4/c1-34-19-12-15(30-21(33)31-20(32)16-7-2-3-8-17(16)25)9-10-18(19)35-23(28,29)22(26,27)13-5-4-6-14(24)11-13/h2-12H,1H3,(H2,30,31,32,33)
InChIKeyFGBHLMVVARHQNV-UHFFFAOYSA-N
XLogP6.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.29
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100483
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100481
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134097756
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide (CID 14100472) is 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide is COc1cc(NC(=O)NC(=O)c2ccccc2Cl)ccc1OC(F)(F)C(F)(F)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide?
The InChIKey is FGBHLMVVARHQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F4N2O4/c1-34-19-12-15(30-21(33)31-20(32)16-7-2-3-8-17(16)25)9-10-18(19)35-23(28,29)22(26,27)13-5-4-6-14(24)11-13/h2-12H,1H3,(H2,30,31,32,33).
What are the key properties of 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide?
2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide has a molecular weight of 531.29 g/mol, XLogP of 6.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[2-(3-chlorophenyl)-1,1,2,2-tetrafluoroethoxy]-3-methoxyphenyl]carbamoyl]benzamide is sourced from PubChem (CID 14100472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).