N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide

C19H17ClF3NO2 — CID 70611798

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)CC1C(F)(F)F
InChIInChI=1S/C19H17ClF3NO2/c1-18(10-16(18)19(21,22)23)17(25)24-14-6-8-15(9-7-14)26-11-12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,24,25)
InChIKeyHXMBFHAYLCTCQV-UHFFFAOYSA-N
MW383.80 g/mol
LogP5.45
Rot. Bonds5

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 70611798) has the molecular formula C19H17ClF3NO2 and a molecular weight of 383.80 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID70611798
Molecular FormulaC19H17ClF3NO2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)CC1C(F)(F)F
InChIInChI=1S/C19H17ClF3NO2/c1-18(10-16(18)19(21,22)23)17(25)24-14-6-8-15(9-7-14)26-11-12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,24,25)
InChIKeyHXMBFHAYLCTCQV-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.80
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
1-methyl-N-(4-methylsulfinylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 70585098
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
2-[[4-[(4-chlorophenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 22688975
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 70584112

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 70611798) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide is CC1(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)CC1C(F)(F)F.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is HXMBFHAYLCTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO2/c1-18(10-16(18)19(21,22)23)17(25)24-14-6-8-15(9-7-14)26-11-12-2-4-13(20)5-3-12/h2-9,16H,10-11H2,1H3,(H,24,25).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 383.80 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70611798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).