3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide

C18H19ClN2O3 — CID 97347862

IUPAC3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(Cl)c1)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C18H19ClN2O3/c19-16-10-14(3-4-17(16)22)18(23)21(12-15-2-1-9-24-15)11-13-5-7-20-8-6-13/h3-8,10,15,22H,1-2,9,11-12H2/t15-/m1/s1
InChIKeyNIQLTBJZNPEYHK-OAHLLOKOSA-N
MW346.81 g/mol
LogP3.26
Rot. Bonds5

About 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide

3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 97347862) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID97347862
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(Cl)c1)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C18H19ClN2O3/c19-16-10-14(3-4-17(16)22)18(23)21(12-15-2-1-9-24-15)11-13-5-7-20-8-6-13/h3-8,10,15,22H,1-2,9,11-12H2/t15-/m1/s1
InChIKeyNIQLTBJZNPEYHK-OAHLLOKOSA-N
XLogP3.26
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 90648755
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 125178218
3-(3-chloro-4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)thiourea
CID 40569571
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090
N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55360775

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 97347862) is 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide is O=C(c1ccc(O)c(Cl)c1)N(Cc1ccncc1)C[C@H]1CCCO1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is NIQLTBJZNPEYHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-16-10-14(3-4-17(16)22)18(23)21(12-15-2-1-9-24-15)11-13-5-7-20-8-6-13/h3-8,10,15,22H,1-2,9,11-12H2/t15-/m1/s1.
What are the key properties of 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 97347862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).