methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate

C21H18ClN3O3 — CID 109170771

IUPACmethyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C(=O)NCc2ccccc2Cl)ccn1
InChIInChI=1S/C21H18ClN3O3/c1-28-21(27)16-7-3-5-9-18(16)25-19-12-14(10-11-23-19)20(26)24-13-15-6-2-4-8-17(15)22/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyRMUKAOCZQSTXSL-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.20
Rot. Bonds6

About methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate

methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109170771) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109170771
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Namemethyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C(=O)NCc2ccccc2Cl)ccn1
InChIInChI=1S/C21H18ClN3O3/c1-28-21(27)16-7-3-5-9-18(16)25-19-12-14(10-11-23-19)20(26)24-13-15-6-2-4-8-17(15)22/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyRMUKAOCZQSTXSL-UHFFFAOYSA-N
XLogP4.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109170764
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
methyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109346993
methyl 2-[[5-[(2-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109157201
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172487

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate (CID 109170771) is methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1cc(C(=O)NCc2ccccc2Cl)ccn1.
What is the InChIKey of methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is RMUKAOCZQSTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-28-21(27)16-7-3-5-9-18(16)25-19-12-14(10-11-23-19)20(26)24-13-15-6-2-4-8-17(15)22/h2-12H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate?
methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 395.85 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109170771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).