methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate

C22H19ClN2O3 — CID 110296720

IUPACmethyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(Cc2ccccn2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2O3/c1-28-22(27)16-5-4-7-19(13-16)25-21(26)20(14-18-6-2-3-12-24-18)15-8-10-17(23)11-9-15/h2-13,20H,14H2,1H3,(H,25,26)
InChIKeyVWYUDBXIPFBQAF-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.49
Rot. Bonds6

About methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate

methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate (PubChem CID 110296720) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate
PubChem CID110296720
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Namemethyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(Cc2ccccn2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2O3/c1-28-22(27)16-5-4-7-19(13-16)25-21(26)20(14-18-6-2-3-12-24-18)15-8-10-17(23)11-9-15/h2-13,20H,14H2,1H3,(H,25,26)
InChIKeyVWYUDBXIPFBQAF-UHFFFAOYSA-N
XLogP4.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356
methyl 3-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108985074
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-2-ylpropanamide
CID 110296713
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296724
2-(4-chlorophenyl)-N-(2-cyanophenyl)-3-pyridin-2-ylpropanamide
CID 110296725
2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide
CID 110296687
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296389
2-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 110296691
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
2-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296673
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296675
methyl 3-[[N-benzoyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate
CID 50818417

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate (CID 110296720) is methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)C(Cc2ccccn2)c2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate?
The InChIKey is VWYUDBXIPFBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-28-22(27)16-5-4-7-19(13-16)25-21(26)20(14-18-6-2-3-12-24-18)15-8-10-17(23)11-9-15/h2-13,20H,14H2,1H3,(H,25,26).
What are the key properties of methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate?
methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate has a molecular weight of 394.86 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate is sourced from PubChem (CID 110296720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).