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

C24H27F2N3O2 — CID 23762833

IUPACN-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
SMILESNC1CCC(N(Cc2cccc(NC(=O)C3CC3)c2)C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C24H27F2N3O2/c25-18-11-17(12-19(26)13-18)24(31)29(22-8-6-20(27)7-9-22)14-15-2-1-3-21(10-15)28-23(30)16-4-5-16/h1-3,10-13,16,20,22H,4-9,14,27H2,(H,28,30)
InChIKeyMYRZAYXZOAOMTR-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.23
Rot. Bonds6

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

N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide (PubChem CID 23762833) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
PubChem CID23762833
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
SMILESNC1CCC(N(Cc2cccc(NC(=O)C3CC3)c2)C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C24H27F2N3O2/c25-18-11-17(12-19(26)13-18)24(31)29(22-8-6-20(27)7-9-22)14-15-2-1-3-21(10-15)28-23(30)16-4-5-16/h1-3,10-13,16,20,22H,4-9,14,27H2,(H,28,30)
InChIKeyMYRZAYXZOAOMTR-UHFFFAOYSA-N
XLogP4.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3,5-difluoro-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide
CID 23995638
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
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-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23935406
N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
benzyl N-[3-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]-4-chlorophenyl]carbamate
CID 23904609
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23884328

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide (CID 23762833) is N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide is NC1CCC(N(Cc2cccc(NC(=O)C3CC3)c2)C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide?
The InChIKey is MYRZAYXZOAOMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c25-18-11-17(12-19(26)13-18)24(31)29(22-8-6-20(27)7-9-22)14-15-2-1-3-21(10-15)28-23(30)16-4-5-16/h1-3,10-13,16,20,22H,4-9,14,27H2,(H,28,30).
What are the key properties of N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide?
N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide has a molecular weight of 427.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 23762833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).