ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate

C18H18ClNO6 — CID 3646188

IUPACethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate
SMILESCCOC(=O)c1ccc(OC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1
InChIInChI=1S/C18H18ClNO6/c1-4-25-17(21)11-5-7-12(8-6-11)26-18(22)20-14-9-13(19)15(23-2)10-16(14)24-3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyDNFFQGDGTZKNIU-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.14
Rot. Bonds6

About ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate

ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate (PubChem CID 3646188) has the molecular formula C18H18ClNO6 and a molecular weight of 379.80 g/mol. Its IUPAC name is ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate
PubChem CID3646188
Molecular FormulaC18H18ClNO6
Molecular Weight379.80 g/mol
Exact Mass379.08
IUPAC Nameethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate
SMILESCCOC(=O)c1ccc(OC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1
InChIInChI=1S/C18H18ClNO6/c1-4-25-17(21)11-5-7-12(8-6-11)26-18(22)20-14-9-13(19)15(23-2)10-16(14)24-3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyDNFFQGDGTZKNIU-UHFFFAOYSA-N
XLogP4.14
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
CID 3368957
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4146627
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 41161591
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 3317523
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
ethyl 5-amino-1-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363346
3-O-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860657
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate?
The IUPAC name of ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate (CID 3646188) is ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate.
What is the SMILES notation for ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate?
The canonical SMILES for ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate is CCOC(=O)c1ccc(OC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1.
What is the InChIKey of ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate?
The InChIKey is DNFFQGDGTZKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO6/c1-4-25-17(21)11-5-7-12(8-6-11)26-18(22)20-14-9-13(19)15(23-2)10-16(14)24-3/h5-10H,4H2,1-3H3,(H,20,22).
What are the key properties of ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate?
ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate has a molecular weight of 379.80 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate is sourced from PubChem (CID 3646188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).