N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide

C28H26F2N4O2 — CID 23912042

IUPACN-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(CN(C(=O)c3cc(F)cc(F)c3)C3CCCCC3N)cc2)cc1
InChIInChI=1S/C28H26F2N4O2/c29-22-13-21(14-23(30)15-22)28(36)34(26-4-2-1-3-25(26)32)17-19-7-11-24(12-8-19)33-27(35)20-9-5-18(16-31)6-10-20/h5-15,25-26H,1-4,17,32H2,(H,33,35)
InChIKeySCZRTGBHZLUZOS-UHFFFAOYSA-N
MW488.54 g/mol
LogP5.00
Rot. Bonds6

About N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide

N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide (PubChem CID 23912042) has the molecular formula C28H26F2N4O2 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide
PubChem CID23912042
Molecular FormulaC28H26F2N4O2
Molecular Weight488.54 g/mol
Exact Mass488.20
IUPAC NameN-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(CN(C(=O)c3cc(F)cc(F)c3)C3CCCCC3N)cc2)cc1
InChIInChI=1S/C28H26F2N4O2/c29-22-13-21(14-23(30)15-22)28(36)34(26-4-2-1-3-25(26)32)17-19-7-11-24(12-8-19)33-27(35)20-9-5-18(16-31)6-10-20/h5-15,25-26H,1-4,17,32H2,(H,33,35)
InChIKeySCZRTGBHZLUZOS-UHFFFAOYSA-N
XLogP5.00
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide with MolForge

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Related Compounds

N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23934541
N-[4-[[(2-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23987825
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23796763
N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23879579
N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23855461
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-cyanobenzamide
CID 23850744
benzyl N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate
CID 23906844
N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
N-(4-aminocyclohexyl)-3,5-difluoro-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide
CID 23995638

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide (CID 23912042) is N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide is N#Cc1ccc(C(=O)Nc2ccc(CN(C(=O)c3cc(F)cc(F)c3)C3CCCCC3N)cc2)cc1.
What is the InChIKey of N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide?
The InChIKey is SCZRTGBHZLUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O2/c29-22-13-21(14-23(30)15-22)28(36)34(26-4-2-1-3-25(26)32)17-19-7-11-24(12-8-19)33-27(35)20-9-5-18(16-31)6-10-20/h5-15,25-26H,1-4,17,32H2,(H,33,35).
What are the key properties of N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide?
N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide has a molecular weight of 488.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 23912042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).