N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide

C23H17ClF5N3O3 — CID 15622699

IUPACN-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(N(C)C(=O)NC(=O)c2c(F)cccc2F)c(C)cc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H17ClF5N3O3/c1-11-8-18(35-21-14(24)9-13(10-30-21)23(27,28)29)12(2)7-17(11)32(3)22(34)31-20(33)19-15(25)5-4-6-16(19)26/h4-10H,1-3H3,(H,31,33,34)
InChIKeyJRHIPRJKYPRKHX-UHFFFAOYSA-N
MW513.85 g/mol
LogP6.43
Rot. Bonds4

About N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide

N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide (PubChem CID 15622699) has the molecular formula C23H17ClF5N3O3 and a molecular weight of 513.85 g/mol. Its IUPAC name is N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide
PubChem CID15622699
Molecular FormulaC23H17ClF5N3O3
Molecular Weight513.85 g/mol
Exact Mass513.09
IUPAC NameN-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(N(C)C(=O)NC(=O)c2c(F)cccc2F)c(C)cc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H17ClF5N3O3/c1-11-8-18(35-21-14(24)9-13(10-30-21)23(27,28)29)12(2)7-17(11)32(3)22(34)31-20(33)19-15(25)5-4-6-16(19)26/h4-10H,1-3H3,(H,31,33,34)
InChIKeyJRHIPRJKYPRKHX-UHFFFAOYSA-N
XLogP6.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-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-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 88657797
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
(E)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-(dimethylamino)prop-2-en-1-one
CID 1485961
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
CID 89130553
[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-methyl-2-nitrophenyl]-hydroxy-oxophosphanium
CID 70457047
N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 18419428

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide (CID 15622699) is N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide is Cc1cc(N(C)C(=O)NC(=O)c2c(F)cccc2F)c(C)cc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide?
The InChIKey is JRHIPRJKYPRKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF5N3O3/c1-11-8-18(35-21-14(24)9-13(10-30-21)23(27,28)29)12(2)7-17(11)32(3)22(34)31-20(33)19-15(25)5-4-6-16(19)26/h4-10H,1-3H3,(H,31,33,34).
What are the key properties of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide?
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide has a molecular weight of 513.85 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 15622699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).