4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide

C17H18ClNO3 — CID 96562055

IUPAC4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide
SMILESCN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C17H18ClNO3/c1-19(9-11-6-7-22-10-11)17(21)14-8-15(18)12-4-2-3-5-13(12)16(14)20/h2-5,8,11,20H,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyXHERSCSOWWWQAX-LLVKDONJSA-N
MW319.79 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide

4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide (PubChem CID 96562055) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide
PubChem CID96562055
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide
SMILESCN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C17H18ClNO3/c1-19(9-11-6-7-22-10-11)17(21)14-8-15(18)12-4-2-3-5-13(12)16(14)20/h2-5,8,11,20H,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyXHERSCSOWWWQAX-LLVKDONJSA-N
XLogP3.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
N,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 155777563
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549
2-chloro-N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109383097
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
CID 126424749
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide (CID 96562055) is 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide is CN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is XHERSCSOWWWQAX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-19(9-11-6-7-22-10-11)17(21)14-8-15(18)12-4-2-3-5-13(12)16(14)20/h2-5,8,11,20H,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide?
4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 96562055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).