methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate

C14H12ClN3O3 — CID 110706425

IUPACmethyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H12ClN3O3/c1-21-13(19)9-4-5-11(15)12(7-9)18-14(20)17-10-3-2-6-16-8-10/h2-8H,1H3,(H2,17,18,20)
InChIKeyHZMUTLFRADJUPZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.17
Rot. Bonds3

About methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate

methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate (PubChem CID 110706425) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
PubChem CID110706425
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Namemethyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H12ClN3O3/c1-21-13(19)9-4-5-11(15)12(7-9)18-14(20)17-10-3-2-6-16-8-10/h2-8H,1H3,(H2,17,18,20)
InChIKeyHZMUTLFRADJUPZ-UHFFFAOYSA-N
XLogP3.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 4-chloro-3-[3-(pyridin-3-ylmethylamino)propanoylamino]benzoate
CID 109023727
methyl 4-chloro-3-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55669322
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342
methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 134048539

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate (CID 110706425) is methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate is COC(=O)c1ccc(Cl)c(NC(=O)Nc2cccnc2)c1.
What is the InChIKey of methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate?
The InChIKey is HZMUTLFRADJUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-21-13(19)9-4-5-11(15)12(7-9)18-14(20)17-10-3-2-6-16-8-10/h2-8H,1H3,(H2,17,18,20).
What are the key properties of methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate?
methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate has a molecular weight of 305.72 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate is sourced from PubChem (CID 110706425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).