ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate

C21H18ClN3O3 — CID 109220888

IUPACethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-21(27)15-7-3-5-9-17(15)24-14-11-12-23-19(13-14)20(26)25-18-10-6-4-8-16(18)22/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyMMSSHQNOUCTYMC-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.91
Rot. Bonds6

About ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate

ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109220888) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109220888
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Nameethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-21(27)15-7-3-5-9-17(15)24-14-11-12-23-19(13-14)20(26)25-18-10-6-4-8-16(18)22/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyMMSSHQNOUCTYMC-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109219823
ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222691
N-(2-chlorophenyl)-4-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109220864
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
ethyl 2-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109209133
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220370
ethyl 2-[[2-(3-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316861
4-(3-acetamidoanilino)-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 109220873
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109220888) is ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is MMSSHQNOUCTYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-2-28-21(27)15-7-3-5-9-17(15)24-14-11-12-23-19(13-14)20(26)25-18-10-6-4-8-16(18)22/h3-13H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 395.85 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109220888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).