ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate

C18H18ClNO4 — CID 3368957

IUPACethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-4-23-17(21)13-5-7-14(8-6-13)20-18(22)24-16-10-12(3)11(2)9-15(16)19/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyXYDQSVNYNZSAMG-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.74
Rot. Bonds4

About ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate

ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate (PubChem CID 3368957) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
PubChem CID3368957
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Nameethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-4-23-17(21)13-5-7-14(8-6-13)20-18(22)24-16-10-12(3)11(2)9-15(16)19/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyXYDQSVNYNZSAMG-UHFFFAOYSA-N
XLogP4.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyloxy]benzoate
CID 3646188
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
ethyl 4-(2-chloroethoxycarbonylamino)benzoate
CID 589550
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
CID 132591036
ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate
CID 70810353
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[[2-(4-amino-2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108500047
2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 143182996
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate?
The IUPAC name of ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate (CID 3368957) is ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(C)cc2Cl)cc1.
What is the InChIKey of ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate?
The InChIKey is XYDQSVNYNZSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-4-23-17(21)13-5-7-14(8-6-13)20-18(22)24-16-10-12(3)11(2)9-15(16)19/h5-10H,4H2,1-3H3,(H,20,22).
What are the key properties of ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate?
ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate has a molecular weight of 347.80 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate is sourced from PubChem (CID 3368957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).