N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

C22H25ClN2O3 — CID 55774395

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)c1cccc(OCC(=O)N(C)C)c1)C1CC1
InChIInChI=1S/C22H25ClN2O3/c1-15(16-7-9-18(23)10-8-16)25(19-11-12-19)22(27)17-5-4-6-20(13-17)28-14-21(26)24(2)3/h4-10,13,15,19H,11-12,14H2,1-3H3
InChIKeyBMBMBXPHIOKOGK-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.17
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (PubChem CID 55774395) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
PubChem CID55774395
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)c1cccc(OCC(=O)N(C)C)c1)C1CC1
InChIInChI=1S/C22H25ClN2O3/c1-15(16-7-9-18(23)10-8-16)25(19-11-12-19)22(27)17-5-4-6-20(13-17)28-14-21(26)24(2)3/h4-10,13,15,19H,11-12,14H2,1-3H3
InChIKeyBMBMBXPHIOKOGK-UHFFFAOYSA-N
XLogP4.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
CID 55594655
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
CID 55775972
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55594889
2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119202865
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55594894
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
3-(2-amino-2-oxoethoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054424
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
CID 55967091
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide
CID 56788768

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (CID 55774395) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is CC(c1ccc(Cl)cc1)N(C(=O)c1cccc(OCC(=O)N(C)C)c1)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The InChIKey is BMBMBXPHIOKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15(16-7-9-18(23)10-8-16)25(19-11-12-19)22(27)17-5-4-6-20(13-17)28-14-21(26)24(2)3/h4-10,13,15,19H,11-12,14H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide has a molecular weight of 400.91 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55774395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).