N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide

C20H22ClNO2 — CID 50984348

IUPACN-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide
SMILESCC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C20H22ClNO2/c1-2-18-12-17(22-20(23)15-6-4-3-5-7-15)13-19(24-18)14-8-10-16(21)11-9-14/h3-11,17-19H,2,12-13H2,1H3,(H,22,23)/t17-,18+,19+/m1/s1
InChIKeyXCHRLDXBVPTDEP-QYZOEREBSA-N
MW343.85 g/mol
LogP4.77
Rot. Bonds4

About N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide

N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide (PubChem CID 50984348) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide
PubChem CID50984348
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC NameN-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide
SMILESCC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C20H22ClNO2/c1-2-18-12-17(22-20(23)15-6-4-3-5-7-15)13-19(24-18)14-8-10-16(21)11-9-14/h3-11,17-19H,2,12-13H2,1H3,(H,22,23)/t17-,18+,19+/m1/s1
InChIKeyXCHRLDXBVPTDEP-QYZOEREBSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
CID 24955187
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CID 57889796
N-(1-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-oxopentan-2-yl)benzamide
CID 57889880
N-(1-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl)benzamide
CID 57889972
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]benzamide;hydrochloride
CID 66976494
(4-Chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2417389
2-(4-methylphenyl)-2-oxo-1-phenylethyl N-(4-chlorobenzoyl)glycinate
CID 2926382
N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-m-tolyl-ethyl}-4-chloro-2-fluoro-benzamide
CID 11730723
2,4-dichloro-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]benzamide
CID 44393338
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride
CID 45481613
4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 4788581
(2R)-N-[(1R)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
CID 44409548

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide?
The IUPAC name of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide (CID 50984348) is N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide?
The canonical SMILES for N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide is CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide?
The InChIKey is XCHRLDXBVPTDEP-QYZOEREBSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-2-18-12-17(22-20(23)15-6-4-3-5-7-15)13-19(24-18)14-8-10-16(21)11-9-14/h3-11,17-19H,2,12-13H2,1H3,(H,22,23)/t17-,18+,19+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide?
N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide has a molecular weight of 343.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-ethyloxan-4-yl]benzamide is sourced from PubChem (CID 50984348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).