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

C26H34FN3O2 — CID 23762344

IUPACN-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide
SMILESCC(C)(C)CC(=O)N(Cc1ccccc1NC(=O)c1ccc(F)cc1)C1CCC(N)CC1
InChIInChI=1S/C26H34FN3O2/c1-26(2,3)16-24(31)30(22-14-12-21(28)13-15-22)17-19-6-4-5-7-23(19)29-25(32)18-8-10-20(27)11-9-18/h4-11,21-22H,12-17,28H2,1-3H3,(H,29,32)
InChIKeyGRWWUHLOYLPDKK-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.11
Rot. Bonds6

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

N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide (PubChem CID 23762344) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide
PubChem CID23762344
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC NameN-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide
SMILESCC(C)(C)CC(=O)N(Cc1ccccc1NC(=O)c1ccc(F)cc1)C1CCC(N)CC1
InChIInChI=1S/C26H34FN3O2/c1-26(2,3)16-24(31)30(22-14-12-21(28)13-15-22)17-19-6-4-5-7-23(19)29-25(32)18-8-10-20(27)11-9-18/h4-11,21-22H,12-17,28H2,1-3H3,(H,29,32)
InChIKeyGRWWUHLOYLPDKK-UHFFFAOYSA-N
XLogP5.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 23824862
N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide
CID 23992132
N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-fluorobenzamide
CID 23825031
N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
CID 23963683
[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23731868
methyl N-[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]carbamate
CID 23940373
N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
CID 23768544
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23849496
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38436444

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide (CID 23762344) is N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide is CC(C)(C)CC(=O)N(Cc1ccccc1NC(=O)c1ccc(F)cc1)C1CCC(N)CC1.
What is the InChIKey of N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide?
The InChIKey is GRWWUHLOYLPDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-26(2,3)16-24(31)30(22-14-12-21(28)13-15-22)17-19-6-4-5-7-23(19)29-25(32)18-8-10-20(27)11-9-18/h4-11,21-22H,12-17,28H2,1-3H3,(H,29,32).
What are the key properties of N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide?
N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide has a molecular weight of 439.58 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 23762344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).