[1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid

C20H21FN2O3 — CID 126715217

IUPAC[1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid
SMILESCNC(=O)c1cccc(-c2cc(C3(NC(=O)O)CCCC3)ccc2F)c1
InChIInChI=1S/C20H21FN2O3/c1-22-18(24)14-6-4-5-13(11-14)16-12-15(7-8-17(16)21)20(23-19(25)26)9-2-3-10-20/h4-8,11-12,23H,2-3,9-10H2,1H3,(H,22,24)(H,25,26)
InChIKeyQMYPTUVOQVNITA-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.89
Rot. Bonds4

About [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid

[1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid (PubChem CID 126715217) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid
PubChem CID126715217
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid
SMILESCNC(=O)c1cccc(-c2cc(C3(NC(=O)O)CCCC3)ccc2F)c1
InChIInChI=1S/C20H21FN2O3/c1-22-18(24)14-6-4-5-13(11-14)16-12-15(7-8-17(16)21)20(23-19(25)26)9-2-3-10-20/h4-8,11-12,23H,2-3,9-10H2,1H3,(H,22,24)(H,25,26)
InChIKeyQMYPTUVOQVNITA-UHFFFAOYSA-N
XLogP3.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid?
The IUPAC name of [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid (CID 126715217) is [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid.
What is the SMILES notation for [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid?
The canonical SMILES for [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid is CNC(=O)c1cccc(-c2cc(C3(NC(=O)O)CCCC3)ccc2F)c1.
What is the InChIKey of [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid?
The InChIKey is QMYPTUVOQVNITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-22-18(24)14-6-4-5-13(11-14)16-12-15(7-8-17(16)21)20(23-19(25)26)9-2-3-10-20/h4-8,11-12,23H,2-3,9-10H2,1H3,(H,22,24)(H,25,26).
What are the key properties of [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid?
[1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid has a molecular weight of 356.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid is sourced from PubChem (CID 126715217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).