N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide

C25H28F3N3O — CID 90214059

IUPACN-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCN1C2CCC1CC(NC1CC1c1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc1)C2
InChIInChI=1S/C25H28F3N3O/c1-31-20-9-10-21(31)13-19(12-20)29-23-14-22(23)15-5-7-18(8-6-15)30-24(32)16-3-2-4-17(11-16)25(26,27)28/h2-8,11,19-23,29H,9-10,12-14H2,1H3,(H,30,32)
InChIKeyTXDLMSKEBVHRQL-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.03
Rot. Bonds5

About N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90214059) has the molecular formula C25H28F3N3O and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90214059
Molecular FormulaC25H28F3N3O
Molecular Weight443.51 g/mol
Exact Mass443.22
IUPAC NameN-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCN1C2CCC1CC(NC1CC1c1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc1)C2
InChIInChI=1S/C25H28F3N3O/c1-31-20-9-10-21(31)13-19(12-20)29-23-14-22(23)15-5-7-18(8-6-15)30-24(32)16-3-2-4-17(11-16)25(26,27)28/h2-8,11,19-23,29H,9-10,12-14H2,1H3,(H,30,32)
InChIKeyTXDLMSKEBVHRQL-UHFFFAOYSA-N
XLogP5.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[(1-phenylpiperidin-4-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide;dihydrochloride
CID 90214387
[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
CID 90214126
[(1R,2S)-2-[4-[(3-tert-butylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214249
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
CID 90214050
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214092
tert-butyl N-[4-[[(1S,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]cyclohexyl]carbamate
CID 131741096
N-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928410
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377
N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide
CID 71260436
N-[3-methyl-4-[1-(oxan-4-yl)ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 91565883

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide (CID 90214059) is N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide is CN1C2CCC1CC(NC1CC1c1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc1)C2.
What is the InChIKey of N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is TXDLMSKEBVHRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O/c1-31-20-9-10-21(31)13-19(12-20)29-23-14-22(23)15-5-7-18(8-6-15)30-24(32)16-3-2-4-17(11-16)25(26,27)28/h2-8,11,19-23,29H,9-10,12-14H2,1H3,(H,30,32).
What are the key properties of N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 443.51 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90214059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).