N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide

C22H25F2N3O2 — CID 23738640

IUPACN-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
SMILESCC(=O)Nc1ccc(CN(C(=O)c2cc(F)cc(F)c2)C2CCC(N)CC2)cc1
InChIInChI=1S/C22H25F2N3O2/c1-14(28)26-20-6-2-15(3-7-20)13-27(21-8-4-19(25)5-9-21)22(29)16-10-17(23)12-18(24)11-16/h2-3,6-7,10-12,19,21H,4-5,8-9,13,25H2,1H3,(H,26,28)
InChIKeyLLZVURAGRUPEMJ-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.84
Rot. Bonds5

About N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide

N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide (PubChem CID 23738640) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
PubChem CID23738640
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
SMILESCC(=O)Nc1ccc(CN(C(=O)c2cc(F)cc(F)c2)C2CCC(N)CC2)cc1
InChIInChI=1S/C22H25F2N3O2/c1-14(28)26-20-6-2-15(3-7-20)13-27(21-8-4-19(25)5-9-21)22(29)16-10-17(23)12-18(24)11-16/h2-3,6-7,10-12,19,21H,4-5,8-9,13,25H2,1H3,(H,26,28)
InChIKeyLLZVURAGRUPEMJ-UHFFFAOYSA-N
XLogP3.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
CID 23762833
N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
CID 23913041
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
N-(4-aminocyclohexyl)-3,5-difluoro-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide
CID 23995638
benzyl N-[3-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]carbamate
CID 23904609
N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 23824862
N-[4-[[(4-aminocyclohexyl)-(cyclohexylmethyl)amino]methyl]phenyl]acetamide
CID 23853695
N-[4-[[(4-aminocyclohexyl)-(1,3-benzodioxol-5-ylmethyl)amino]methyl]phenyl]acetamide
CID 23825297
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide
CID 23912042

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide (CID 23738640) is N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide is CC(=O)Nc1ccc(CN(C(=O)c2cc(F)cc(F)c2)C2CCC(N)CC2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide?
The InChIKey is LLZVURAGRUPEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-14(28)26-20-6-2-15(3-7-20)13-27(21-8-4-19(25)5-9-21)22(29)16-10-17(23)12-18(24)11-16/h2-3,6-7,10-12,19,21H,4-5,8-9,13,25H2,1H3,(H,26,28).
What are the key properties of N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide?
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide has a molecular weight of 401.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide is sourced from PubChem (CID 23738640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).