methyl 3-(benzhydrylamino)-5-fluorobenzoate

C21H18FNO2 — CID 151322531

IUPACmethyl 3-(benzhydrylamino)-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)cc(NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H18FNO2/c1-25-21(24)17-12-18(22)14-19(13-17)23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20,23H,1H3
InChIKeyOGTMOYZEZWZHMK-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.81
Rot. Bonds5

About methyl 3-(benzhydrylamino)-5-fluorobenzoate

methyl 3-(benzhydrylamino)-5-fluorobenzoate (PubChem CID 151322531) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 3-(benzhydrylamino)-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-(benzhydrylamino)-5-fluorobenzoate
PubChem CID151322531
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Namemethyl 3-(benzhydrylamino)-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)cc(NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H18FNO2/c1-25-21(24)17-12-18(22)14-19(13-17)23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20,23H,1H3
InChIKeyOGTMOYZEZWZHMK-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-[(2-hydroxy-1-phenylethyl)amino]benzene-1,3-dicarboxylate
CID 102027168
methyl 3,5-difluorobenzoate
CID 2775360
3-fluoro-5-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]benzoic acid
CID 110452398
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxo-2-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 3394738
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
ethyl 3-(benzhydrylamino)benzoate
CID 172748353
methyl 3-fluoro-5-(2-phenylethylsulfanyl)benzoate
CID 155206792
methyl 3-fluorobenzoate
CID 521184
hexadecyl 3,5-bis[[(4-aminophenyl)-phenylmethyl]amino]benzoate
CID 150111204
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
methyl 2-(3-cyano-5-fluoroanilino)-2-phenylacetate
CID 102816133

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzhydrylamino)-5-fluorobenzoate?
The IUPAC name of methyl 3-(benzhydrylamino)-5-fluorobenzoate (CID 151322531) is methyl 3-(benzhydrylamino)-5-fluorobenzoate.
What is the SMILES notation for methyl 3-(benzhydrylamino)-5-fluorobenzoate?
The canonical SMILES for methyl 3-(benzhydrylamino)-5-fluorobenzoate is COC(=O)c1cc(F)cc(NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of methyl 3-(benzhydrylamino)-5-fluorobenzoate?
The InChIKey is OGTMOYZEZWZHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-25-21(24)17-12-18(22)14-19(13-17)23-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20,23H,1H3.
What are the key properties of methyl 3-(benzhydrylamino)-5-fluorobenzoate?
methyl 3-(benzhydrylamino)-5-fluorobenzoate has a molecular weight of 335.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzhydrylamino)-5-fluorobenzoate is sourced from PubChem (CID 151322531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).