N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide

C28H27FN4O2 — CID 23934541

IUPACN-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(CN(C(=O)c3cccc(F)c3)C3CCCCC3N)c2)cc1
InChIInChI=1S/C28H27FN4O2/c29-23-7-4-6-22(16-23)28(35)33(26-10-2-1-9-25(26)31)18-20-5-3-8-24(15-20)32-27(34)21-13-11-19(17-30)12-14-21/h3-8,11-16,25-26H,1-2,9-10,18,31H2,(H,32,34)
InChIKeyYWSZYMRWSBUXKQ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.86
Rot. Bonds6

About N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide

N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide (PubChem CID 23934541) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
PubChem CID23934541
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC NameN-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(CN(C(=O)c3cccc(F)c3)C3CCCCC3N)c2)cc1
InChIInChI=1S/C28H27FN4O2/c29-23-7-4-6-22(16-23)28(35)33(26-10-2-1-9-25(26)31)18-20-5-3-8-24(15-20)32-27(34)21-13-11-19(17-30)12-14-21/h3-8,11-16,25-26H,1-2,9-10,18,31H2,(H,32,34)
InChIKeyYWSZYMRWSBUXKQ-UHFFFAOYSA-N
XLogP4.86
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23855461
N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide
CID 23912042
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-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23820528
N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
CID 23960191
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23768602
N-[3-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23913264
N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23879579
N-[4-[[(2-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23987825
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-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide (CID 23934541) is N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide is N#Cc1ccc(C(=O)Nc2cccc(CN(C(=O)c3cccc(F)c3)C3CCCCC3N)c2)cc1.
What is the InChIKey of N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
The InChIKey is YWSZYMRWSBUXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c29-23-7-4-6-22(16-23)28(35)33(26-10-2-1-9-25(26)31)18-20-5-3-8-24(15-20)32-27(34)21-13-11-19(17-30)12-14-21/h3-8,11-16,25-26H,1-2,9-10,18,31H2,(H,32,34).
What are the key properties of N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide has a molecular weight of 470.55 g/mol, XLogP of 4.86, 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-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 23934541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).