4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

C22H25FN2O2 — CID 109148115

IUPAC4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CCC(C(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C22H25FN2O2/c1-15-4-2-5-16(12-15)14-24-21(26)17-8-10-18(11-9-17)22(27)25-20-7-3-6-19(23)13-20/h2-7,12-13,17-18H,8-11,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUDKSPRMORHLAHJ-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.20
Rot. Bonds5

About 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148115) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148115
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CCC(C(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C22H25FN2O2/c1-15-4-2-5-16(12-15)14-24-21(26)17-8-10-18(11-9-17)22(27)25-20-7-3-6-19(23)13-20/h2-7,12-13,17-18H,8-11,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUDKSPRMORHLAHJ-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148399
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148115) is 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is Cc1cccc(CNC(=O)C2CCC(C(=O)Nc3cccc(F)c3)CC2)c1.
What is the InChIKey of 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is UDKSPRMORHLAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15-4-2-5-16(12-15)14-24-21(26)17-8-10-18(11-9-17)22(27)25-20-7-3-6-19(23)13-20/h2-7,12-13,17-18H,8-11,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).