methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate

C20H20ClNO5 — CID 18273621

IUPACmethyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2Cl)c(OC)c1
InChIInChI=1S/C20H20ClNO5/c1-4-5-13-6-9-17(18(10-13)25-2)27-12-19(23)22-16-11-14(20(24)26-3)7-8-15(16)21/h4-11H,12H2,1-3H3,(H,22,23)/b5-4+
InChIKeyNLLPOZQFNWUQNM-SNAWJCMRSA-N
MW389.84 g/mol
LogP4.19
Rot. Bonds7

About methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate

methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate (PubChem CID 18273621) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate
PubChem CID18273621
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Namemethyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2Cl)c(OC)c1
InChIInChI=1S/C20H20ClNO5/c1-4-5-13-6-9-17(18(10-13)25-2)27-12-19(23)22-16-11-14(20(24)26-3)7-8-15(16)21/h4-11H,12H2,1-3H3,(H,22,23)/b5-4+
InChIKeyNLLPOZQFNWUQNM-SNAWJCMRSA-N
XLogP4.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
[2-(2-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907900
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
N-(2-fluoro-5-methylphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426327
N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26054584
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N-(2-chlorophenyl)-2-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide
CID 27112870

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate (CID 18273621) is methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate is C/C=C/c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2Cl)c(OC)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate?
The InChIKey is NLLPOZQFNWUQNM-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-4-5-13-6-9-17(18(10-13)25-2)27-12-19(23)22-16-11-14(20(24)26-3)7-8-15(16)21/h4-11H,12H2,1-3H3,(H,22,23)/b5-4+.
What are the key properties of methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate has a molecular weight of 389.84 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 18273621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).