N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C16H21F3N2O — CID 120650795

IUPACN-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-3-20-10(2)9-21-15(22)14-8-13(14)11-5-4-6-12(7-11)16(17,18)19/h4-7,10,13-14,20H,3,8-9H2,1-2H3,(H,21,22)/t10-,13?,14?/m1/s1
InChIKeyNKEUDIJEYDJGLM-GWMXKSKGSA-N
MW314.35 g/mol
LogP2.92
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 120650795) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID120650795
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-3-20-10(2)9-21-15(22)14-8-13(14)11-5-4-6-12(7-11)16(17,18)19/h4-7,10,13-14,20H,3,8-9H2,1-2H3,(H,21,22)/t10-,13?,14?/m1/s1
InChIKeyNKEUDIJEYDJGLM-GWMXKSKGSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
N-[(2R)-2-(ethylamino)propyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 120651037
trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
2-(2,3-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide
CID 120650745
N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825250
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95620997

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 120650795) is N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CCN[C@H](C)CNC(=O)C1CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is NKEUDIJEYDJGLM-GWMXKSKGSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-3-20-10(2)9-21-15(22)14-8-13(14)11-5-4-6-12(7-11)16(17,18)19/h4-7,10,13-14,20H,3,8-9H2,1-2H3,(H,21,22)/t10-,13?,14?/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 120650795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).