N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide

C22H19FN2O3 — CID 31857522

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H19FN2O3/c23-18-8-4-16(5-9-18)14-28-20-3-1-2-17(13-20)22(27)25-19-10-6-15(7-11-19)12-21(24)26/h1-11,13H,12,14H2,(H2,24,26)(H,25,27)
InChIKeyDXSVKKWLWPZDNJ-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.68
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 31857522) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
PubChem CID31857522
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H19FN2O3/c23-18-8-4-16(5-9-18)14-28-20-3-1-2-17(13-20)22(27)25-19-10-6-15(7-11-19)12-21(24)26/h1-11,13H,12,14H2,(H2,24,26)(H,25,27)
InChIKeyDXSVKKWLWPZDNJ-UHFFFAOYSA-N
XLogP3.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
N-(4-acetamido-3-chlorophenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 43041597
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
[3-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927597
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 30697494
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
3-[(4-fluorophenyl)methoxy]benzenecarbothioamide
CID 22686177
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24647665
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide (CID 31857522) is N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide is NC(=O)Cc1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is DXSVKKWLWPZDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-18-8-4-16(5-9-18)14-28-20-3-1-2-17(13-20)22(27)25-19-10-6-15(7-11-19)12-21(24)26/h1-11,13H,12,14H2,(H2,24,26)(H,25,27).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 378.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 31857522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).