3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide

C13H17NO4 — CID 104939070

IUPAC3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C13H17NO4/c15-10-5-9(6-11(16)7-10)12(17)14-8-13(18)3-1-2-4-13/h5-7,15-16,18H,1-4,8H2,(H,14,17)
InChIKeyUJOOSNUHKXDCKM-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.13
Rot. Bonds3

About 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide

3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide (PubChem CID 104939070) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
PubChem CID104939070
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C13H17NO4/c15-10-5-9(6-11(16)7-10)12(17)14-8-13(18)3-1-2-4-13/h5-7,15-16,18H,1-4,8H2,(H,14,17)
InChIKeyUJOOSNUHKXDCKM-UHFFFAOYSA-N
XLogP1.13
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 104939117
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551
3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123513
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide (CID 104939070) is 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide is O=C(NCC1(O)CCCC1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is UJOOSNUHKXDCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-10-5-9(6-11(16)7-10)12(17)14-8-13(18)3-1-2-4-13/h5-7,15-16,18H,1-4,8H2,(H,14,17).
What are the key properties of 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide?
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 104939070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).