N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide

C25H26F3N5O2 — CID 123763803

IUPACN-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)Cn1cncn1)c1cccc(F)c1
InChIInChI=1S/C25H26F3N5O2/c1-17-5-2-3-8-21(17)23(24(35)31-19-9-11-25(27,28)12-10-19)33(20-7-4-6-18(26)13-20)22(34)14-32-16-29-15-30-32/h2-8,13,15-16,19,23H,9-12,14H2,1H3,(H,31,35)
InChIKeyWWFGBEZINDALSG-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.19
Rot. Bonds7

About N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide

N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (PubChem CID 123763803) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
PubChem CID123763803
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)Cn1cncn1)c1cccc(F)c1
InChIInChI=1S/C25H26F3N5O2/c1-17-5-2-3-8-21(17)23(24(35)31-19-9-11-25(27,28)12-10-19)33(20-7-4-6-18(26)13-20)22(34)14-32-16-29-15-30-32/h2-8,13,15-16,19,23H,9-12,14H2,1H3,(H,31,35)
InChIKeyWWFGBEZINDALSG-UHFFFAOYSA-N
XLogP4.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (CID 123763803) is N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)Cn1cncn1)c1cccc(F)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is WWFGBEZINDALSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-17-5-2-3-8-21(17)23(24(35)31-19-9-11-25(27,28)12-10-19)33(20-7-4-6-18(26)13-20)22(34)14-32-16-29-15-30-32/h2-8,13,15-16,19,23H,9-12,14H2,1H3,(H,31,35).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 485.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 123763803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).