4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid

C17H15FN2O4 — CID 91473317

IUPAC4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid
SMILESO=NC(CCC(=O)O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O4/c18-13-3-1-2-12(10-13)17(23)19-14-6-4-11(5-7-14)15(20-24)8-9-16(21)22/h1-7,10,15H,8-9H2,(H,19,23)(H,21,22)
InChIKeyJCCTZDRCSRQPGB-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.75
Rot. Bonds7

About 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid

4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid (PubChem CID 91473317) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid.

Molecular Properties

Compound Name4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid
PubChem CID91473317
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid
SMILESO=NC(CCC(=O)O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O4/c18-13-3-1-2-12(10-13)17(23)19-14-6-4-11(5-7-14)15(20-24)8-9-16(21)22/h1-7,10,15H,8-9H2,(H,19,23)(H,21,22)
InChIKeyJCCTZDRCSRQPGB-UHFFFAOYSA-N
XLogP3.75
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(4-cyanobenzoyl)amino]phenyl]-4-nitrosobutanoic acid
CID 91349117
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 26158821
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium
CID 7470003
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 26158966

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid?
The IUPAC name of 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid (CID 91473317) is 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid.
What is the SMILES notation for 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid?
The canonical SMILES for 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid is O=NC(CCC(=O)O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid?
The InChIKey is JCCTZDRCSRQPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c18-13-3-1-2-12(10-13)17(23)19-14-6-4-11(5-7-14)15(20-24)8-9-16(21)22/h1-7,10,15H,8-9H2,(H,19,23)(H,21,22).
What are the key properties of 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid?
4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid has a molecular weight of 330.32 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid is sourced from PubChem (CID 91473317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).