ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate

C20H20ClNO4 — CID 92683570

IUPACethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate
SMILESC=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)ccc1OC
InChIInChI=1S/C20H20ClNO4/c1-4-6-13-11-14(7-10-18(13)25-3)19(23)22-15-8-9-16(17(21)12-15)20(24)26-5-2/h4,7-12H,1,5-6H2,2-3H3,(H,22,23)
InChIKeyCDZBTQFRIVBHHD-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.51
Rot. Bonds7

About ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate

ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate (PubChem CID 92683570) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate
PubChem CID92683570
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Nameethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate
SMILESC=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)ccc1OC
InChIInChI=1S/C20H20ClNO4/c1-4-6-13-11-14(7-10-18(13)25-3)19(23)22-15-8-9-16(17(21)12-15)20(24)26-5-2/h4,7-12H,1,5-6H2,2-3H3,(H,22,23)
InChIKeyCDZBTQFRIVBHHD-UHFFFAOYSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082
N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21367438
N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 36843513
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367927
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate (CID 92683570) is ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate is C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)ccc1OC.
What is the InChIKey of ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate?
The InChIKey is CDZBTQFRIVBHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-4-6-13-11-14(7-10-18(13)25-3)19(23)22-15-8-9-16(17(21)12-15)20(24)26-5-2/h4,7-12H,1,5-6H2,2-3H3,(H,22,23).
What are the key properties of ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate?
ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate has a molecular weight of 373.84 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate is sourced from PubChem (CID 92683570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).