methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate

C21H19ClN4O4 — CID 26274916

IUPACmethyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(Cl)cc2)cc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C21H19ClN4O4/c1-30-21(29)16-9-14(12-23-20(28)15-3-5-17(22)6-4-15)10-18(11-16)25-19(27)13-26-8-2-7-24-26/h2-11H,12-13H2,1H3,(H,23,28)(H,25,27)
InChIKeyABBMMEDWPSBLNX-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.89
Rot. Bonds7

About methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate

methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate (PubChem CID 26274916) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
PubChem CID26274916
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC Namemethyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(Cl)cc2)cc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C21H19ClN4O4/c1-30-21(29)16-9-14(12-23-20(28)15-3-5-17(22)6-4-15)10-18(11-16)25-19(27)13-26-8-2-7-24-26/h2-11H,12-13H2,1H3,(H,23,28)(H,25,27)
InChIKeyABBMMEDWPSBLNX-UHFFFAOYSA-N
XLogP2.89
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate with MolForge

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Related Compounds

methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 26319198
methyl 3-[[(3-fluorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 25290649
4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55978865
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55954551
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
CID 42406364
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
CID 42431459
2-amino-3-methoxy-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 120986988
N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
CID 33366231
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate (CID 26274916) is methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate is COC(=O)c1cc(CNC(=O)c2ccc(Cl)cc2)cc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
The InChIKey is ABBMMEDWPSBLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-30-21(29)16-9-14(12-23-20(28)15-3-5-17(22)6-4-15)10-18(11-16)25-19(27)13-26-8-2-7-24-26/h2-11H,12-13H2,1H3,(H,23,28)(H,25,27).
What are the key properties of methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate has a molecular weight of 426.86 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 26274916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).