5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid

C18H17FN2O4 — CID 26158966

IUPAC5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O4/c19-13-7-9-14(10-8-13)21-18(25)12-3-1-4-15(11-12)20-16(22)5-2-6-17(23)24/h1,3-4,7-11H,2,5-6H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyMQUJHXJYCZCYAC-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.27
Rot. Bonds7

About 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid

5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid (PubChem CID 26158966) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
PubChem CID26158966
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O4/c19-13-7-9-14(10-8-13)21-18(25)12-3-1-4-15(11-12)20-16(22)5-2-6-17(23)24/h1,3-4,7-11H,2,5-6H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyMQUJHXJYCZCYAC-UHFFFAOYSA-N
XLogP3.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 26158821
3-(4-carboxybutanoylamino)benzoic acid
CID 735327
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 86817394
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
N-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 26158889
N-(4-fluorophenyl)-3-(tetradecanoylcarbamothioylamino)benzamide
CID 54791215
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
3-(benzoylcarbamothioylamino)-N-(4-fluorophenyl)benzamide
CID 26159726
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid (CID 26158966) is 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid?
The InChIKey is MQUJHXJYCZCYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-13-7-9-14(10-8-13)21-18(25)12-3-1-4-15(11-12)20-16(22)5-2-6-17(23)24/h1,3-4,7-11H,2,5-6H2,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid?
5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid has a molecular weight of 344.34 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid is sourced from PubChem (CID 26158966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).