2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide

C18H16ClF3N2O2 — CID 55613890

IUPAC2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)C1CC1c1ccccc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c19-15-6-2-1-5-12(15)13-8-14(13)16(25)24-9-11-4-3-7-23-17(11)26-10-18(20,21)22/h1-7,13-14H,8-10H2,(H,24,25)
InChIKeyGTMBXMRCQAIYMZ-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.10
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 55613890) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID55613890
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)C1CC1c1ccccc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c19-15-6-2-1-5-12(15)13-8-14(13)16(25)24-9-11-4-3-7-23-17(11)26-10-18(20,21)22/h1-7,13-14H,8-10H2,(H,24,25)
InChIKeyGTMBXMRCQAIYMZ-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96999756
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55493076
2-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
CID 55507970
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119847130
3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55638530
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 55613825
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 112829742
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 55613890) is 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cccnc1OCC(F)(F)F)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is GTMBXMRCQAIYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-15-6-2-1-5-12(15)13-8-14(13)16(25)24-9-11-4-3-7-23-17(11)26-10-18(20,21)22/h1-7,13-14H,8-10H2,(H,24,25).
What are the key properties of 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55613890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).