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

C20H16ClN3O3 — CID 109221037

IUPACmethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)16-4-2-3-5-17(16)23-15-10-11-22-18(12-15)19(25)24-14-8-6-13(21)7-9-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyCFLYOOHFEKPQDQ-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.52
Rot. Bonds5

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

methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109221037) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109221037
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Namemethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)16-4-2-3-5-17(16)23-15-10-11-22-18(12-15)19(25)24-14-8-6-13(21)7-9-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyCFLYOOHFEKPQDQ-UHFFFAOYSA-N
XLogP4.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222267
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220370
ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220888
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
methyl 2-[[2-(3-phenylpropylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109216657
4-(2,5-dichloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109221676
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109221037) is methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is CFLYOOHFEKPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-20(26)16-4-2-3-5-17(16)23-15-10-11-22-18(12-15)19(25)24-14-8-6-13(21)7-9-14/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 381.82 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109221037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).