N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide

C28H32F3N3O2 — CID 58751611

IUPACN-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC1(C(=O)NC2CCN(C3CCC(c4ccccc4)CC3)C2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H32F3N3O2/c29-28(30,31)22-8-4-7-21(17-22)25(35)33-27(14-15-27)26(36)32-23-13-16-34(18-23)24-11-9-20(10-12-24)19-5-2-1-3-6-19/h1-8,17,20,23-24H,9-16,18H2,(H,32,36)(H,33,35)
InChIKeyHBTLNBRXGXKBLX-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.88
Rot. Bonds6

About N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide

N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide (PubChem CID 58751611) has the molecular formula C28H32F3N3O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide
PubChem CID58751611
Molecular FormulaC28H32F3N3O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC NameN-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC1(C(=O)NC2CCN(C3CCC(c4ccccc4)CC3)C2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H32F3N3O2/c29-28(30,31)22-8-4-7-21(17-22)25(35)33-27(14-15-27)26(36)32-23-13-16-34(18-23)24-11-9-20(10-12-24)19-5-2-1-3-6-19/h1-8,17,20,23-24H,9-16,18H2,(H,32,36)(H,33,35)
InChIKeyHBTLNBRXGXKBLX-UHFFFAOYSA-N
XLogP4.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95180815
N-[2-[[(3R)-1-cyclohexylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 154542142
N-[2-[[(3R)-1-[4-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66787607
N-[2-[[1-[4-(4-carbamoylphenyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91384386
N-[2-oxo-2-[[(3R)-1-(1-phenylazepan-4-yl)pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 59150588
[(1S,5R)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
CID 123444138
3-[1-hydroxy-4-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]cyclohexyl]-N,N-dimethylbenzamide
CID 66787496
N-[2-oxo-2-[[(3R)-1-[4-(2H-1,3-thiazol-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 141259343
N-[2-[[1-[4-(4-acetylphenyl)-4-fluorocyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 162559759
N-[2-[[(3R)-1-[4-[4-(ethylcarbamoyl)phenyl]-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66787793
N-[2-[[(3R)-1-[4-hydroxy-4-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66787544
2-[[hydroxy-[3-(trifluoromethyl)phenyl]methyl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide
CID 90731501

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide (CID 58751611) is N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide is O=C(NC1(C(=O)NC2CCN(C3CCC(c4ccccc4)CC3)C2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HBTLNBRXGXKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O2/c29-28(30,31)22-8-4-7-21(17-22)25(35)33-27(14-15-27)26(36)32-23-13-16-34(18-23)24-11-9-20(10-12-24)19-5-2-1-3-6-19/h1-8,17,20,23-24H,9-16,18H2,(H,32,36)(H,33,35).
What are the key properties of N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide?
N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide has a molecular weight of 499.58 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58751611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).