3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide

C18H18Cl2N2O3 — CID 55795951

IUPAC3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)C(C)Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-11(25-14-6-7-15(19)16(20)9-14)17(23)22-10-12-4-3-5-13(8-12)18(24)21-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZOBONKBTCHLNJY-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.44
Rot. Bonds6

About 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide

3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide (PubChem CID 55795951) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide
PubChem CID55795951
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)C(C)Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-11(25-14-6-7-15(19)16(20)9-14)17(23)22-10-12-4-3-5-13(8-12)18(24)21-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZOBONKBTCHLNJY-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
CID 51947210
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide (CID 55795951) is 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)C(C)Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide?
The InChIKey is ZOBONKBTCHLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11(25-14-6-7-15(19)16(20)9-14)17(23)22-10-12-4-3-5-13(8-12)18(24)21-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide?
3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide has a molecular weight of 381.26 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55795951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).