ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate

C16H13Cl2NO4 — CID 3027481

IUPACethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1O
InChIInChI=1S/C16H13Cl2NO4/c1-2-23-16(22)11-7-9(3-6-14(11)20)15(21)19-13-5-4-10(17)8-12(13)18/h3-8,20H,2H2,1H3,(H,19,21)
InChIKeyANLCUKFFOBCSCQ-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.13
Rot. Bonds4

About ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate

ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate (PubChem CID 3027481) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate
PubChem CID3027481
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Nameethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1O
InChIInChI=1S/C16H13Cl2NO4/c1-2-23-16(22)11-7-9(3-6-14(11)20)15(21)19-13-5-4-10(17)8-12(13)18/h3-8,20H,2H2,1H3,(H,19,21)
InChIKeyANLCUKFFOBCSCQ-UHFFFAOYSA-N
XLogP4.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
ethyl 4-[(2,4-dichlorophenyl)carbamothioylamino]benzoate
CID 1288592
ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
CID 19226453
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
ethyl 4-[[3-(2,4-dichloroanilino)-3-oxopropyl]amino]benzoate
CID 109042450
ethyl 3-chloro-4-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate
CID 30396105
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
CID 44577383
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate?
The IUPAC name of ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate (CID 3027481) is ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate is CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1O.
What is the InChIKey of ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate?
The InChIKey is ANLCUKFFOBCSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-2-23-16(22)11-7-9(3-6-14(11)20)15(21)19-13-5-4-10(17)8-12(13)18/h3-8,20H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate?
ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate has a molecular weight of 354.19 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate is sourced from PubChem (CID 3027481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).