N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide

C30H34FN3O2 — CID 56645355

IUPACN-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN(C)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C30H34FN3O2/c1-22-12-9-10-19-27(22)29(30(36)32-24-14-5-3-6-15-24)34(26-18-11-13-23(31)20-26)28(35)21-33(2)25-16-7-4-8-17-25/h4,7-13,16-20,24,29H,3,5-6,14-15,21H2,1-2H3,(H,32,36)
InChIKeyIIEQLXFBYVDDRE-UHFFFAOYSA-N
MW487.62 g/mol
LogP5.79
Rot. Bonds8

About N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide (PubChem CID 56645355) has the molecular formula C30H34FN3O2 and a molecular weight of 487.62 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide
PubChem CID56645355
Molecular FormulaC30H34FN3O2
Molecular Weight487.62 g/mol
Exact Mass487.26
IUPAC NameN-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN(C)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C30H34FN3O2/c1-22-12-9-10-19-27(22)29(30(36)32-24-14-5-3-6-15-24)34(26-18-11-13-23(31)20-26)28(35)21-33(2)25-16-7-4-8-17-25/h4,7-13,16-20,24,29H,3,5-6,14-15,21H2,1-2H3,(H,32,36)
InChIKeyIIEQLXFBYVDDRE-UHFFFAOYSA-N
XLogP5.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide (CID 56645355) is N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN(C)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is IIEQLXFBYVDDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O2/c1-22-12-9-10-19-27(22)29(30(36)32-24-14-5-3-6-15-24)34(26-18-11-13-23(31)20-26)28(35)21-33(2)25-16-7-4-8-17-25/h4,7-13,16-20,24,29H,3,5-6,14-15,21H2,1-2H3,(H,32,36).
What are the key properties of N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 487.62 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-N-[2-(N-methylanilino)acetyl]anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56645355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).