N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide

C22H25F2N3O2 — CID 20782503

IUPACN-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N(C)C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cc2)CC1
InChIInChI=1S/C22H25F2N3O2/c1-14(28)25-19-7-9-21(10-8-19)27(2)22(29)26-20-5-3-15(4-6-20)16-11-17(23)13-18(24)12-16/h3-6,11-13,19,21H,7-10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGHYHZQDUDUOVIL-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.54
Rot. Bonds4

About N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide

N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide (PubChem CID 20782503) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide
PubChem CID20782503
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC NameN-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N(C)C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cc2)CC1
InChIInChI=1S/C22H25F2N3O2/c1-14(28)25-19-7-9-21(10-8-19)27(2)22(29)26-20-5-3-15(4-6-20)16-11-17(23)13-18(24)12-16/h3-6,11-13,19,21H,7-10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGHYHZQDUDUOVIL-UHFFFAOYSA-N
XLogP4.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide (CID 20782503) is N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(N(C)C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cc2)CC1.
What is the InChIKey of N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide?
The InChIKey is GHYHZQDUDUOVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-14(28)25-19-7-9-21(10-8-19)27(2)22(29)26-20-5-3-15(4-6-20)16-11-17(23)13-18(24)12-16/h3-6,11-13,19,21H,7-10H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide?
N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3,5-difluorophenyl)phenyl]carbamoyl-methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 20782503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).