2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate

C21H15FNO3- — CID 7407568

IUPAC2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
SMILESO=C([O-])c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)/p-1
InChIKeyISXMGDFMDFIRRK-UHFFFAOYSA-M
MW348.35 g/mol
LogP2.79
Rot. Bonds5

About 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate

2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate (PubChem CID 7407568) has the molecular formula C21H15FNO3- and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
PubChem CID7407568
Molecular FormulaC21H15FNO3-
Molecular Weight348.35 g/mol
Exact Mass348.10
IUPAC Name2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
SMILESO=C([O-])c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)/p-1
InChIKeyISXMGDFMDFIRRK-UHFFFAOYSA-M
XLogP2.79
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 175327917
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate (CID 7407568) is 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate is O=C([O-])c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate?
The InChIKey is ISXMGDFMDFIRRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16FNO3/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)/p-1.
What are the key properties of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate?
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate has a molecular weight of 348.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate is sourced from PubChem (CID 7407568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).