N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide

C21H27F3N2O — CID 51000996

IUPACN-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCC1NC1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C21H27F3N2O/c22-21(23,24)14-10-11-16(17(12-14)13-8-9-13)20(27)26-19-7-3-6-18(19)25-15-4-1-2-5-15/h10-13,15,18-19,25H,1-9H2,(H,26,27)
InChIKeyJKYKXPCSUPMXPJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide

N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide (PubChem CID 51000996) has the molecular formula C21H27F3N2O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
PubChem CID51000996
Molecular FormulaC21H27F3N2O
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC NameN-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCC1NC1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C21H27F3N2O/c22-21(23,24)14-10-11-16(17(12-14)13-8-9-13)20(27)26-19-7-3-6-18(19)25-15-4-1-2-5-15/h10-13,15,18-19,25H,1-9H2,(H,26,27)
InChIKeyJKYKXPCSUPMXPJ-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 90290966
N-[(3S)-4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 90290977
2-cyclopropyl-N-[(6S)-6-(oxan-4-ylamino)-1λ3,3-iodoxan-1-yl]-4-(trifluoromethyl)benzamide
CID 162560698
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide
CID 77445013
4-amino-N-cyclobutyl-2-cyclopropylbenzamide
CID 170995543
N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-2,4-bis(trifluoromethyl)benzamide
CID 58063002
N-[2-(cyclopentylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 162115292
bis(2-cyclopropyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide);2-methyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87377616
2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 161143167
2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
CID 51001073
methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate
CID 169212318

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide (CID 51000996) is N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide is O=C(NC1CCCC1NC1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
The InChIKey is JKYKXPCSUPMXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O/c22-21(23,24)14-10-11-16(17(12-14)13-8-9-13)20(27)26-19-7-3-6-18(19)25-15-4-1-2-5-15/h10-13,15,18-19,25H,1-9H2,(H,26,27).
What are the key properties of N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide has a molecular weight of 380.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 51000996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).