1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide

C22H24F2N2O2 — CID 53110383

IUPAC1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C2(C(=O)NCc3cc(F)cc(F)c3)CCCCC2)cc1
InChIInChI=1S/C22H24F2N2O2/c1-15(27)26-20-7-5-17(6-8-20)22(9-3-2-4-10-22)21(28)25-14-16-11-18(23)13-19(24)12-16/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyDRILIVYSSXSSFE-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.44
Rot. Bonds5

About 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide

1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 53110383) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID53110383
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(C2(C(=O)NCc3cc(F)cc(F)c3)CCCCC2)cc1
InChIInChI=1S/C22H24F2N2O2/c1-15(27)26-20-7-5-17(6-8-20)22(9-3-2-4-10-22)21(28)25-14-16-11-18(23)13-19(24)12-16/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyDRILIVYSSXSSFE-UHFFFAOYSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55962305
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide
CID 53110439

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide (CID 53110383) is 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide is CC(=O)Nc1ccc(C2(C(=O)NCc3cc(F)cc(F)c3)CCCCC2)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is DRILIVYSSXSSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-15(27)26-20-7-5-17(6-8-20)22(9-3-2-4-10-22)21(28)25-14-16-11-18(23)13-19(24)12-16/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide?
1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53110383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).