N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide

C22H26FN3O2 — CID 23824862

IUPACN-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
SMILESCC(=O)Nc1ccccc1CN(C(=O)c1cccc(F)c1)C1CCC(N)CC1
InChIInChI=1S/C22H26FN3O2/c1-15(27)25-21-8-3-2-5-17(21)14-26(20-11-9-19(24)10-12-20)22(28)16-6-4-7-18(23)13-16/h2-8,13,19-20H,9-12,14,24H2,1H3,(H,25,27)
InChIKeyAWIMBESWPDBNOM-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.70
Rot. Bonds5

About N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide

N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide (PubChem CID 23824862) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
PubChem CID23824862
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
SMILESCC(=O)Nc1ccccc1CN(C(=O)c1cccc(F)c1)C1CCC(N)CC1
InChIInChI=1S/C22H26FN3O2/c1-15(27)25-21-8-3-2-5-17(21)14-26(20-11-9-19(24)10-12-20)22(28)16-6-4-7-18(23)13-16/h2-8,13,19-20H,9-12,14,24H2,1H3,(H,25,27)
InChIKeyAWIMBESWPDBNOM-UHFFFAOYSA-N
XLogP3.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23849496
N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
CID 23960191
N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23935406
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
N-[3-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23913264
N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 23762344
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 23934073
N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
CID 23768544
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
CID 23762833

Frequently Asked Questions

What is the IUPAC name of N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide?
The IUPAC name of N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide (CID 23824862) is N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide.
What is the SMILES notation for N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide?
The canonical SMILES for N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide is CC(=O)Nc1ccccc1CN(C(=O)c1cccc(F)c1)C1CCC(N)CC1.
What is the InChIKey of N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide?
The InChIKey is AWIMBESWPDBNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15(27)25-21-8-3-2-5-17(21)14-26(20-11-9-19(24)10-12-20)22(28)16-6-4-7-18(23)13-16/h2-8,13,19-20H,9-12,14,24H2,1H3,(H,25,27).
What are the key properties of N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide?
N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide is sourced from PubChem (CID 23824862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).