3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide

C13H16Cl2N2O2 — CID 178146194

IUPAC3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H16Cl2N2O2/c14-9-5-10(12(18)11(15)6-9)13(19)17-7-8-1-3-16-4-2-8/h5-6,8,16,18H,1-4,7H2,(H,17,19)
InChIKeyOCHNMXOXUZQKHE-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.43
Rot. Bonds3

About 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide

3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 178146194) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
PubChem CID178146194
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H16Cl2N2O2/c14-9-5-10(12(18)11(15)6-9)13(19)17-7-8-1-3-16-4-2-8/h5-6,8,16,18H,1-4,7H2,(H,17,19)
InChIKeyOCHNMXOXUZQKHE-UHFFFAOYSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 178146344
2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46891027
2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
cis-ethyl (1R,2R)-2-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylate
CID 178146428
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
4-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79808514
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide (CID 178146194) is 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is OCHNMXOXUZQKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-5-10(12(18)11(15)6-9)13(19)17-7-8-1-3-16-4-2-8/h5-6,8,16,18H,1-4,7H2,(H,17,19).
What are the key properties of 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide?
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 303.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 178146194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).