N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H17F3N2O2 — CID 119421188

IUPACN-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2CC2c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N2O2/c1-25-12-5-6-15(22)16(8-12)23-17(24)14-9-13(14)10-3-2-4-11(7-10)18(19,20)21/h2-8,13-14H,9,22H2,1H3,(H,23,24)
InChIKeyNDMJJPXDXCQIEB-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.04
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 119421188) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID119421188
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2CC2c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N2O2/c1-25-12-5-6-15(22)16(8-12)23-17(24)14-9-13(14)10-3-2-4-11(7-10)18(19,20)21/h2-8,13-14H,9,22H2,1H3,(H,23,24)
InChIKeyNDMJJPXDXCQIEB-UHFFFAOYSA-N
XLogP4.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119421668
N-(2-amino-5-methoxyphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119421487
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate
CID 154877020
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064
N-(2-amino-5-methoxyphenyl)-2-ethoxycyclopropane-1-carboxamide;hydrochloride
CID 119421788
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 119421188) is N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is COc1ccc(N)c(NC(=O)C2CC2c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is NDMJJPXDXCQIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-25-12-5-6-15(22)16(8-12)23-17(24)14-9-13(14)10-3-2-4-11(7-10)18(19,20)21/h2-8,13-14H,9,22H2,1H3,(H,23,24).
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119421188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).