ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate

C15H13ClN2O3 — CID 7311998

IUPACethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C15H13ClN2O3/c1-2-21-15(20)11-3-4-12(16)13(9-11)18-14(19)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQOZUWMMTWUSBER-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.16
Rot. Bonds4

About ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate

ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate (PubChem CID 7311998) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
PubChem CID7311998
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Nameethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C15H13ClN2O3/c1-2-21-15(20)11-3-4-12(16)13(9-11)18-14(19)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQOZUWMMTWUSBER-UHFFFAOYSA-N
XLogP3.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
ethyl 4-chloro-3-[[3-(2-chloro-5-ethoxycarbonylanilino)-2-methyl-3-oxopropanoyl]amino]benzoate
CID 20719550
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
ethyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoate
CID 34201771
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
CID 23802638
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109174778
ethyl 4-chloro-3-(3-phenylprop-2-enoylamino)benzoate
CID 838209
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165128

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate?
The IUPAC name of ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate (CID 7311998) is ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate.
What is the SMILES notation for ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate?
The canonical SMILES for ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate is CCOC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1.
What is the InChIKey of ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate?
The InChIKey is QOZUWMMTWUSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-2-21-15(20)11-3-4-12(16)13(9-11)18-14(19)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate?
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate has a molecular weight of 304.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate is sourced from PubChem (CID 7311998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).