2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C19H17F2NO4 — CID 120975940

IUPAC2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C19H17F2NO4/c20-12-3-1-2-11(8-12)10-26-17-7-4-13(9-16(17)21)22-18(23)14-5-6-15(14)19(24)25/h1-4,7-9,14-15H,5-6,10H2,(H,22,23)(H,24,25)
InChIKeyNQFDYILXGKIKAU-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.59
Rot. Bonds6

About 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975940) has the molecular formula C19H17F2NO4 and a molecular weight of 361.34 g/mol. Its IUPAC name is 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975940
Molecular FormulaC19H17F2NO4
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C19H17F2NO4/c20-12-3-1-2-11(8-12)10-26-17-7-4-13(9-16(17)21)22-18(23)14-5-6-15(14)19(24)25/h1-4,7-9,14-15H,5-6,10H2,(H,22,23)(H,24,25)
InChIKeyNQFDYILXGKIKAU-UHFFFAOYSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95327018
2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
CID 167449564
(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 136583840
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773627
(1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide
CID 166270447
3-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 119739954
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide
CID 95324364
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
4-fluoroaniline;1-[(3-fluoro-4-phenylmethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 66669817

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120975940) is 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1.
What is the InChIKey of 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is NQFDYILXGKIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO4/c20-12-3-1-2-11(8-12)10-26-17-7-4-13(9-16(17)21)22-18(23)14-5-6-15(14)19(24)25/h1-4,7-9,14-15H,5-6,10H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 361.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).