N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide

C28H30FN3O3 — CID 56645562

IUPACN-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)COc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C28H30FN3O3/c1-20-9-5-6-15-25(20)27(28(34)31-22-11-3-2-4-12-22)32(23-13-7-10-21(29)17-23)26(33)19-35-24-14-8-16-30-18-24/h5-10,13-18,22,27H,2-4,11-12,19H2,1H3,(H,31,34)
InChIKeyONYWRTOYNMWAHK-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.13
Rot. Bonds8

About N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide (PubChem CID 56645562) has the molecular formula C28H30FN3O3 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide
PubChem CID56645562
Molecular FormulaC28H30FN3O3
Molecular Weight475.56 g/mol
Exact Mass475.23
IUPAC NameN-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)COc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C28H30FN3O3/c1-20-9-5-6-15-25(20)27(28(34)31-22-11-3-2-4-12-22)32(23-13-7-10-21(29)17-23)26(33)19-35-24-14-8-16-30-18-24/h5-10,13-18,22,27H,2-4,11-12,19H2,1H3,(H,31,34)
InChIKeyONYWRTOYNMWAHK-UHFFFAOYSA-N
XLogP5.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide (CID 56645562) is N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)COc1cccnc1)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is ONYWRTOYNMWAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O3/c1-20-9-5-6-15-25(20)27(28(34)31-22-11-3-2-4-12-22)32(23-13-7-10-21(29)17-23)26(33)19-35-24-14-8-16-30-18-24/h5-10,13-18,22,27H,2-4,11-12,19H2,1H3,(H,31,34).
What are the key properties of N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 475.56 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-N-(2-pyridin-3-yloxyacetyl)anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56645562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).