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

C28H30F2N4O2 — CID 56646566

IUPACN-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNc1ncccc1F)c1cccc(F)c1
InChIInChI=1S/C28H30F2N4O2/c1-19-9-5-6-14-23(19)26(28(36)33-21-11-3-2-4-12-21)34(22-13-7-10-20(29)17-22)25(35)18-32-27-24(30)15-8-16-31-27/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,31,32)(H,33,36)
InChIKeyWKLCHSFNIRRXPK-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.30
Rot. Bonds8

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

N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide (PubChem CID 56646566) has the molecular formula C28H30F2N4O2 and a molecular weight of 492.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide
PubChem CID56646566
Molecular FormulaC28H30F2N4O2
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC NameN-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNc1ncccc1F)c1cccc(F)c1
InChIInChI=1S/C28H30F2N4O2/c1-19-9-5-6-14-23(19)26(28(36)33-21-11-3-2-4-12-21)34(22-13-7-10-20(29)17-22)25(35)18-32-27-24(30)15-8-16-31-27/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,31,32)(H,33,36)
InChIKeyWKLCHSFNIRRXPK-UHFFFAOYSA-N
XLogP5.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide (CID 56646566) is N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNc1ncccc1F)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is WKLCHSFNIRRXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O2/c1-19-9-5-6-14-23(19)26(28(36)33-21-11-3-2-4-12-21)34(22-13-7-10-20(29)17-22)25(35)18-32-27-24(30)15-8-16-31-27/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,31,32)(H,33,36).
What are the key properties of N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 492.57 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-N-[2-[(3-fluoro-2-pyridinyl)amino]acetyl]anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56646566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).