1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide

C18H23F3N2O — CID 119805107

IUPAC1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)14-6-4-5-13(11-14)16(7-2-1-3-8-16)12-23-15(24)17(22)9-10-17/h4-6,11H,1-3,7-10,12,22H2,(H,23,24)
InChIKeyNLEKDFSRAJAMNC-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.51
Rot. Bonds4

About 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide (PubChem CID 119805107) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
PubChem CID119805107
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)14-6-4-5-13(11-14)16(7-2-1-3-8-16)12-23-15(24)17(22)9-10-17/h4-6,11H,1-3,7-10,12,22H2,(H,23,24)
InChIKeyNLEKDFSRAJAMNC-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
1-N'-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1,1-dicarboxamide
CID 75373653
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119752294

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide (CID 119805107) is 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1.
What is the InChIKey of 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is NLEKDFSRAJAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)14-6-4-5-13(11-14)16(7-2-1-3-8-16)12-23-15(24)17(22)9-10-17/h4-6,11H,1-3,7-10,12,22H2,(H,23,24).
What are the key properties of 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119805107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).