ethyl 4-benzamido-3-chlorobenzoate

C16H14ClNO3 — CID 28634288

IUPACethyl 4-benzamido-3-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-2-21-16(20)12-8-9-14(13(17)10-12)18-15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19)
InChIKeyJRJUVFVXACXWSK-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.77
Rot. Bonds4

About ethyl 4-benzamido-3-chlorobenzoate

ethyl 4-benzamido-3-chlorobenzoate (PubChem CID 28634288) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is ethyl 4-benzamido-3-chlorobenzoate.

Molecular Properties

Compound Nameethyl 4-benzamido-3-chlorobenzoate
PubChem CID28634288
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Nameethyl 4-benzamido-3-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-2-21-16(20)12-8-9-14(13(17)10-12)18-15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19)
InChIKeyJRJUVFVXACXWSK-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
ethyl 3-chloro-4-(phenylcarbamothioylamino)benzoate
CID 99954280
ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate
CID 56630518
ethyl 4-[[2-[2-(aminomethyl)phenyl]benzoyl]amino]-3-chlorobenzoate
CID 174413978
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
ethyl 3-chloro-4-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate
CID 30396105
ethyl 4-(3-benzylsulfanylpropanoylamino)-3-chlorobenzoate
CID 92671649
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
CID 7311998
ethyl 3-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 28637033
ethyl 3-chloro-4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56629235
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 46778632

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzamido-3-chlorobenzoate?
The IUPAC name of ethyl 4-benzamido-3-chlorobenzoate (CID 28634288) is ethyl 4-benzamido-3-chlorobenzoate.
What is the SMILES notation for ethyl 4-benzamido-3-chlorobenzoate?
The canonical SMILES for ethyl 4-benzamido-3-chlorobenzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of ethyl 4-benzamido-3-chlorobenzoate?
The InChIKey is JRJUVFVXACXWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-2-21-16(20)12-8-9-14(13(17)10-12)18-15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 4-benzamido-3-chlorobenzoate?
ethyl 4-benzamido-3-chlorobenzoate has a molecular weight of 303.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzamido-3-chlorobenzoate is sourced from PubChem (CID 28634288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).