(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate

C18H17Cl2NO4 — CID 7827643

IUPAC(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-24-16-8-3-2-5-12(16)18(23)21-10-9-17(22)25-11-13-14(19)6-4-7-15(13)20/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyPTGHRRCHLOACRK-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.87
Rot. Bonds7

About (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate

(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827643) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827643
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-24-16-8-3-2-5-12(16)18(23)21-10-9-17(22)25-11-13-14(19)6-4-7-15(13)20/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyPTGHRRCHLOACRK-UHFFFAOYSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827559
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 8676064
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
imidazo[1,2-a]pyridin-2-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827556

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827643) is (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccccc1C(=O)NCCC(=O)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is PTGHRRCHLOACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-24-16-8-3-2-5-12(16)18(23)21-10-9-17(22)25-11-13-14(19)6-4-7-15(13)20/h2-8H,9-11H2,1H3,(H,21,23).
What are the key properties of (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 382.24 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).