2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide

C19H18ClNO4 — CID 52828045

IUPAC2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO4/c20-14-10-8-13(9-11-14)18(22)15-5-1-2-6-16(15)19(23)21-25-17-7-3-4-12-24-17/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,21,23)/t17-/m0/s1
InChIKeyIFMBNEBVWIECCX-KRWDZBQOSA-N
MW359.81 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide

2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide (PubChem CID 52828045) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
PubChem CID52828045
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO4/c20-14-10-8-13(9-11-14)18(22)15-5-1-2-6-16(15)19(23)21-25-17-7-3-4-12-24-17/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,21,23)/t17-/m0/s1
InChIKeyIFMBNEBVWIECCX-KRWDZBQOSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
CID 11841438
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
CID 99717936
N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
CID 60613224
2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
CID 55536405
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
CID 10182459
7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 59696725
1-(3-chlorophenyl)-N-(oxan-2-yloxy)-5-propan-2-ylpyrazole-4-carboxamide
CID 60612611

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide (CID 52828045) is 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide is O=C(NO[C@H]1CCCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide?
The InChIKey is IFMBNEBVWIECCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18ClNO4/c20-14-10-8-13(9-11-14)18(22)15-5-1-2-6-16(15)19(23)21-25-17-7-3-4-12-24-17/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,21,23)/t17-/m0/s1.
What are the key properties of 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide?
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide has a molecular weight of 359.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide is sourced from PubChem (CID 52828045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).