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

C28H36FN3O2 — CID 23934073

IUPACN-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide
SMILESNC1CCC(CC2CCC(NC(=O)Cc3ccccc3NC(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C28H36FN3O2/c29-23-6-3-5-22(17-23)28(34)32-26-7-2-1-4-21(26)18-27(33)31-25-14-10-20(11-15-25)16-19-8-12-24(30)13-9-19/h1-7,17,19-20,24-25H,8-16,18,30H2,(H,31,33)(H,32,34)
InChIKeyKDZKDTXOMOHRFW-UHFFFAOYSA-N
MW465.61 g/mol
LogP5.20
Rot. Bonds7

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

N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide (PubChem CID 23934073) has the molecular formula C28H36FN3O2 and a molecular weight of 465.61 g/mol. Its IUPAC name is N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide
PubChem CID23934073
Molecular FormulaC28H36FN3O2
Molecular Weight465.61 g/mol
Exact Mass465.28
IUPAC NameN-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide
SMILESNC1CCC(CC2CCC(NC(=O)Cc3ccccc3NC(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C28H36FN3O2/c29-23-6-3-5-22(17-23)28(34)32-26-7-2-1-4-21(26)18-27(33)31-25-14-10-20(11-15-25)16-19-8-12-24(30)13-9-19/h1-7,17,19-20,24-25H,8-16,18,30H2,(H,31,33)(H,32,34)
InChIKeyKDZKDTXOMOHRFW-UHFFFAOYSA-N
XLogP5.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.61
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 23824862
N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
CID 23960191
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
2-amino-4-[cyclopropylmethyl-[[2-[(3-fluorobenzoyl)amino]phenyl]methyl]amino]butanoic acid
CID 175601231
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-[2-(cyclopropylmethyl)phenyl]benzamide
CID 91703615
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide (CID 23934073) is N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide is NC1CCC(CC2CCC(NC(=O)Cc3ccccc3NC(=O)c3cccc(F)c3)CC2)CC1.
What is the InChIKey of N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
The InChIKey is KDZKDTXOMOHRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O2/c29-23-6-3-5-22(17-23)28(34)32-26-7-2-1-4-21(26)18-27(33)31-25-14-10-20(11-15-25)16-19-8-12-24(30)13-9-19/h1-7,17,19-20,24-25H,8-16,18,30H2,(H,31,33)(H,32,34).
What are the key properties of N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide has a molecular weight of 465.61 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 23934073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).