N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide

C22H12ClF6N3O4 — CID 19873185

IUPACN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C22H12ClF6N3O4/c23-12-8-10(22(27,28)29)4-7-17(12)36-11-5-6-16(15(26)9-11)30-20(34)32-21(35)31-19(33)18-13(24)2-1-3-14(18)25/h1-9H,(H3,30,31,32,33,34,35)
InChIKeySULMOUWDVPMTHW-UHFFFAOYSA-N
MW531.80 g/mol
LogP6.24
Rot. Bonds4

About N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide (PubChem CID 19873185) has the molecular formula C22H12ClF6N3O4 and a molecular weight of 531.80 g/mol. Its IUPAC name is N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
PubChem CID19873185
Molecular FormulaC22H12ClF6N3O4
Molecular Weight531.80 g/mol
Exact Mass531.04
IUPAC NameN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C22H12ClF6N3O4/c23-12-8-10(22(27,28)29)4-7-17(12)36-11-5-6-16(15(26)9-11)30-20(34)32-21(35)31-19(33)18-13(24)2-1-3-14(18)25/h1-9H,(H3,30,31,32,33,34,35)
InChIKeySULMOUWDVPMTHW-UHFFFAOYSA-N
XLogP6.24
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.80
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
CID 89130553
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 16734925
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 88657797
2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 14823060
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 18793633
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034853
N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626040
N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide;methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 71769202

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide (CID 19873185) is N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide?
The InChIKey is SULMOUWDVPMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF6N3O4/c23-12-8-10(22(27,28)29)4-7-17(12)36-11-5-6-16(15(26)9-11)30-20(34)32-21(35)31-19(33)18-13(24)2-1-3-14(18)25/h1-9H,(H3,30,31,32,33,34,35).
What are the key properties of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide?
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide has a molecular weight of 531.80 g/mol, XLogP of 6.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 19873185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).