N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide

C21H24FNO4 — CID 110629778

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C2(c3ccccc3F)CC2)cc1OC
InChIInChI=1S/C21H24FNO4/c1-23(13-17(24)14-8-9-18(26-2)19(12-14)27-3)20(25)21(10-11-21)15-6-4-5-7-16(15)22/h4-9,12,17,24H,10-11,13H2,1-3H3
InChIKeyLIGRTHJOVYOSPL-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 110629778) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID110629778
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C2(c3ccccc3F)CC2)cc1OC
InChIInChI=1S/C21H24FNO4/c1-23(13-17(24)14-8-9-18(26-2)19(12-14)27-3)20(25)21(10-11-21)15-6-4-5-7-16(15)22/h4-9,12,17,24H,10-11,13H2,1-3H3
InChIKeyLIGRTHJOVYOSPL-UHFFFAOYSA-N
XLogP3.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 110485219
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 110308894
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 110415928
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
CID 110308876
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide
CID 110466100
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
CID 110629772

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 110629778) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide is COc1ccc(C(O)CN(C)C(=O)C2(c3ccccc3F)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is LIGRTHJOVYOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-23(13-17(24)14-8-9-18(26-2)19(12-14)27-3)20(25)21(10-11-21)15-6-4-5-7-16(15)22/h4-9,12,17,24H,10-11,13H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 110629778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).