N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide

C18H17F2NO3 — CID 110016234

IUPACN-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1cc(F)cc(F)c1)C1CCCC1O
InChIInChI=1S/C18H17F2NO3/c19-11-8-12(20)10-13(9-11)24-17-7-2-1-5-15(17)21-18(23)14-4-3-6-16(14)22/h1-2,5,7-10,14,16,22H,3-4,6H2,(H,21,23)
InChIKeySMUJZGJNDNBZJA-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide

N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110016234) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110016234
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC NameN-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1cc(F)cc(F)c1)C1CCCC1O
InChIInChI=1S/C18H17F2NO3/c19-11-8-12(20)10-13(9-11)24-17-7-2-1-5-15(17)21-18(23)14-4-3-6-16(14)22/h1-2,5,7-10,14,16,22H,3-4,6H2,(H,21,23)
InChIKeySMUJZGJNDNBZJA-UHFFFAOYSA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120796585
N-[2-(3,5-difluorophenoxy)phenyl]pyridazine-4-carboxamide
CID 122133953
N-[2-(3,5-difluorophenoxy)phenyl]-4-methylmorpholine-2-carboxamide
CID 71919695
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638
2-hydroxy-N-(2-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 110015372
1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 126772268
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
(2S)-N-(2-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide
CID 6941294
N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60557145
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide (CID 110016234) is N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)C1CCCC1O.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is SMUJZGJNDNBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c19-11-8-12(20)10-13(9-11)24-17-7-2-1-5-15(17)21-18(23)14-4-3-6-16(14)22/h1-2,5,7-10,14,16,22H,3-4,6H2,(H,21,23).
What are the key properties of N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide?
N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 333.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110016234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).