methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate

C14H11ClN2O3 — CID 4051547

IUPACmethyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-20-14(19)9-5-2-3-7-11(9)17-13(18)10-6-4-8-16-12(10)15/h2-8H,1H3,(H,17,18)
InChIKeyXZVSLOQHOOQJSM-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.77
Rot. Bonds3

About methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate

methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate (PubChem CID 4051547) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
PubChem CID4051547
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Namemethyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-20-14(19)9-5-2-3-7-11(9)17-13(18)10-6-4-8-16-12(10)15/h2-8H,1H3,(H,17,18)
InChIKeyXZVSLOQHOOQJSM-UHFFFAOYSA-N
XLogP2.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 61215492
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
CID 86612636

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate (CID 4051547) is methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate?
The InChIKey is XZVSLOQHOOQJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-20-14(19)9-5-2-3-7-11(9)17-13(18)10-6-4-8-16-12(10)15/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate?
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate has a molecular weight of 290.71 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 4051547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).