methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate

C18H18ClNO5 — CID 98667710

IUPACmethyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C18H18ClNO5/c1-11(25-14-7-5-13(23-2)6-8-14)17(21)20-16-10-12(18(22)24-3)4-9-15(16)19/h4-11H,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyCPDODXNNVQVZNP-LLVKDONJSA-N
MW363.80 g/mol
LogP3.54
Rot. Bonds6

About methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate

methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate (PubChem CID 98667710) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
PubChem CID98667710
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Namemethyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C18H18ClNO5/c1-11(25-14-7-5-13(23-2)6-8-14)17(21)20-16-10-12(18(22)24-3)4-9-15(16)19/h4-11H,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyCPDODXNNVQVZNP-LLVKDONJSA-N
XLogP3.54
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
methyl 3-hydroxy-4-[2-(4-methoxyphenoxy)propanoylamino]benzoate
CID 108744888
methyl 4-chloro-3-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzoate
CID 133262134
methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzoate
CID 28574112
methyl 4-chloro-3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzoate
CID 43876416
methyl 4-chloro-3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]benzoate
CID 38018063
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 87004483
methyl 4-chloro-3-[[(2R)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 126274130
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604763
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate (CID 98667710) is methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
The InChIKey is CPDODXNNVQVZNP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-11(25-14-7-5-13(23-2)6-8-14)17(21)20-16-10-12(18(22)24-3)4-9-15(16)19/h4-11H,1-3H3,(H,20,21)/t11-/m1/s1.
What are the key properties of methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate has a molecular weight of 363.80 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 98667710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).