methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate

C22H15ClFNO4 — CID 34164218

IUPACmethyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C22H15ClFNO4/c1-29-22(28)18-12-15(10-11-19(18)23)25-21(27)17-5-3-2-4-16(17)20(26)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,25,27)
InChIKeyWYDHXXCRCPGOLB-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.75
Rot. Bonds5

About methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate

methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate (PubChem CID 34164218) has the molecular formula C22H15ClFNO4 and a molecular weight of 411.82 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate
PubChem CID34164218
Molecular FormulaC22H15ClFNO4
Molecular Weight411.82 g/mol
Exact Mass411.07
IUPAC Namemethyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C22H15ClFNO4/c1-29-22(28)18-12-15(10-11-19(18)23)25-21(27)17-5-3-2-4-16(17)20(26)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,25,27)
InChIKeyWYDHXXCRCPGOLB-UHFFFAOYSA-N
XLogP4.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 55551358
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
CID 36653806
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate
CID 26074860
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate (CID 34164218) is methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate?
The InChIKey is WYDHXXCRCPGOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO4/c1-29-22(28)18-12-15(10-11-19(18)23)25-21(27)17-5-3-2-4-16(17)20(26)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,25,27).
What are the key properties of methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate?
methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate has a molecular weight of 411.82 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 34164218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).