3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide

C21H25ClN2O2 — CID 175879008

IUPAC3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
SMILESCc1c(C(N)=O)cc(OCCN(C)C)cc1C1(c2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN2O2/c1-14-16(20(23)25)12-15(26-11-10-24(2)3)13-18(14)21(8-9-21)17-6-4-5-7-19(17)22/h4-7,12-13H,8-11H2,1-3H3,(H2,23,25)
InChIKeyFEHNIYJVDPFAPA-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.77
Rot. Bonds7

About 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide

3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide (PubChem CID 175879008) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
PubChem CID175879008
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
SMILESCc1c(C(N)=O)cc(OCCN(C)C)cc1C1(c2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN2O2/c1-14-16(20(23)25)12-15(26-11-10-24(2)3)13-18(14)21(8-9-21)17-6-4-5-7-19(17)22/h4-7,12-13H,8-11H2,1-3H3,(H2,23,25)
InChIKeyFEHNIYJVDPFAPA-UHFFFAOYSA-N
XLogP3.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100666490
2-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 141367169
2-chloro-4-[2-(dimethylamino)ethoxy]benzenecarbothioamide
CID 62947313
5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
CID 89324930
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544844
1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100677257
2-[1-[2-(dimethylamino)ethyl]cyclobutyl]benzamide
CID 67551440
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
CID 20670038
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
3-[2-[4-carbamoyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]propyl formate
CID 143972424
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
The IUPAC name of 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide (CID 175879008) is 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide is Cc1c(C(N)=O)cc(OCCN(C)C)cc1C1(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
The InChIKey is FEHNIYJVDPFAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-14-16(20(23)25)12-15(26-11-10-24(2)3)13-18(14)21(8-9-21)17-6-4-5-7-19(17)22/h4-7,12-13H,8-11H2,1-3H3,(H2,23,25).
What are the key properties of 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide?
3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide has a molecular weight of 372.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)cyclopropyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide is sourced from PubChem (CID 175879008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).