N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

C20H21Cl2NO3 — CID 113198580

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCc3ccc(Cl)cc3Cl)CC2)cc1OC
InChIInChI=1S/C20H21Cl2NO3/c1-25-17-6-4-14(11-18(17)26-2)20(8-9-20)19(24)23-10-7-13-3-5-15(21)12-16(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)
InChIKeyPPJWQEIWCDZATI-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.40
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 113198580) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID113198580
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCc3ccc(Cl)cc3Cl)CC2)cc1OC
InChIInChI=1S/C20H21Cl2NO3/c1-25-17-6-4-14(11-18(17)26-2)20(8-9-20)19(24)23-10-7-13-3-5-15(21)12-16(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)
InChIKeyPPJWQEIWCDZATI-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707
1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide
CID 110436752
1-(3,4-dimethoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 110438052
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86925548
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86885316
3-(2,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 144669432
1-(4-fluorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 33106611
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide (CID 113198580) is N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NCCc3ccc(Cl)cc3Cl)CC2)cc1OC.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is PPJWQEIWCDZATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-25-17-6-4-14(11-18(17)26-2)20(8-9-20)19(24)23-10-7-13-3-5-15(21)12-16(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113198580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).