3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide

C18H14ClF5N2O3 — CID 90468729

IUPAC3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
SMILESCC(O)(C(=O)Nc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1Cl)C(F)(F)F
InChIInChI=1S/C18H14ClF5N2O3/c1-17(29,18(22,23)24)16(28)26-13-6-5-10(8-12(13)19)15(27)25-11-4-2-3-9(7-11)14(20)21/h2-8,14,29H,1H3,(H,25,27)(H,26,28)
InChIKeyMUUFGWPKPYBNIW-UHFFFAOYSA-N
MW436.76 g/mol
LogP4.78
Rot. Bonds5

About 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide

3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide (PubChem CID 90468729) has the molecular formula C18H14ClF5N2O3 and a molecular weight of 436.76 g/mol. Its IUPAC name is 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
PubChem CID90468729
Molecular FormulaC18H14ClF5N2O3
Molecular Weight436.76 g/mol
Exact Mass436.06
IUPAC Name3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
SMILESCC(O)(C(=O)Nc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1Cl)C(F)(F)F
InChIInChI=1S/C18H14ClF5N2O3/c1-17(29,18(22,23)24)16(28)26-13-6-5-10(8-12(13)19)15(27)25-11-4-2-3-9(7-11)14(20)21/h2-8,14,29H,1H3,(H,25,27)(H,26,28)
InChIKeyMUUFGWPKPYBNIW-UHFFFAOYSA-N
XLogP4.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.76
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide 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

3-chloro-N-(3-chloro-4-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
CID 90468794
3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
CID 90468953
3-chloro-N-(2-chloro-3-pyridinyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
CID 142647933
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-3-iodobenzamide
CID 18758693
N-(4-benzyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287318
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
The IUPAC name of 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide (CID 90468729) is 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
The canonical SMILES for 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide is CC(O)(C(=O)Nc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
The InChIKey is MUUFGWPKPYBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF5N2O3/c1-17(29,18(22,23)24)16(28)26-13-6-5-10(8-12(13)19)15(27)25-11-4-2-3-9(7-11)14(20)21/h2-8,14,29H,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide has a molecular weight of 436.76 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide is sourced from PubChem (CID 90468729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).