N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

C18H17F2NO3 — CID 110439005

IUPACN-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cc(F)ccc3F)CC2)cc1OC
InChIInChI=1S/C18H17F2NO3/c1-23-15-6-3-11(9-16(15)24-2)18(7-8-18)17(22)21-14-10-12(19)4-5-13(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyVFTRODQCVSRALW-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.65
Rot. Bonds5

About N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110439005) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110439005
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC NameN-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cc(F)ccc3F)CC2)cc1OC
InChIInChI=1S/C18H17F2NO3/c1-23-15-6-3-11(9-16(15)24-2)18(7-8-18)17(22)21-14-10-12(19)4-5-13(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyVFTRODQCVSRALW-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-(5-acetamido-2-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26243035
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
1-[(3aS,6S,7aR)-3a-(3,4-dimethoxyphenyl)-1-propyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(2,5-difluorophenyl)urea
CID 91557675
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (CID 110439005) is N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3cc(F)ccc3F)CC2)cc1OC.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is VFTRODQCVSRALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-23-15-6-3-11(9-16(15)24-2)18(7-8-18)17(22)21-14-10-12(19)4-5-13(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 333.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110439005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).