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

C25H28FN5O2 — CID 71460994

IUPACN-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1cncn1)c1cccc(F)c1
InChIInChI=1S/C25H28FN5O2/c1-18-8-5-6-13-22(18)24(25(33)29-20-10-3-2-4-11-20)31(21-12-7-9-19(26)14-21)23(32)15-30-17-27-16-28-30/h5-9,12-14,16-17,20,24H,2-4,10-11,15H2,1H3,(H,29,33)
InChIKeyKQSUVLGOQZJXDF-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.95
Rot. Bonds7

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

N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (PubChem CID 71460994) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
PubChem CID71460994
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC NameN-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1cncn1)c1cccc(F)c1
InChIInChI=1S/C25H28FN5O2/c1-18-8-5-6-13-22(18)24(25(33)29-20-10-3-2-4-11-20)31(21-12-7-9-19(26)14-21)23(32)15-30-17-27-16-28-30/h5-9,12-14,16-17,20,24H,2-4,10-11,15H2,1H3,(H,29,33)
InChIKeyKQSUVLGOQZJXDF-UHFFFAOYSA-N
XLogP3.95
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (CID 71460994) is N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1cncn1)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is KQSUVLGOQZJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-18-8-5-6-13-22(18)24(25(33)29-20-10-3-2-4-11-20)31(21-12-7-9-19(26)14-21)23(32)15-30-17-27-16-28-30/h5-9,12-14,16-17,20,24H,2-4,10-11,15H2,1H3,(H,29,33).
What are the key properties of N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 71460994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).