4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide

C21H19F2N3O2 — CID 109151170

IUPAC4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C21H19F2N3O2/c22-18-9-8-17(11-19(18)23)26-21(28)15-6-4-14(5-7-15)20(27)25-16-3-1-2-13(10-16)12-24/h1-3,8-11,14-15H,4-7H2,(H,25,27)(H,26,28)
InChIKeyGZWGKAPWZAWTRL-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.22
Rot. Bonds4

About 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide

4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151170) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151170
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C21H19F2N3O2/c22-18-9-8-17(11-19(18)23)26-21(28)15-6-4-14(5-7-15)20(27)25-16-3-1-2-13(10-16)12-24/h1-3,8-11,14-15H,4-7H2,(H,25,27)(H,26,28)
InChIKeyGZWGKAPWZAWTRL-UHFFFAOYSA-N
XLogP4.22
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
CID 112989923
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
4-N-(3-cyanophenyl)-1-N-(1,1-dioxothiolan-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149252
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780329
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide (CID 109151170) is 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide is N#Cc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GZWGKAPWZAWTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-18-9-8-17(11-19(18)23)26-21(28)15-6-4-14(5-7-15)20(27)25-16-3-1-2-13(10-16)12-24/h1-3,8-11,14-15H,4-7H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 383.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).