N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide

C26H26ClNO5 — CID 42427203

IUPACN-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cccc(Cl)c1OC[C@@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H26ClNO5/c27-23-12-5-13-24(25(23)33-18-22-11-6-14-30-22)28-26(29)19-7-4-10-21(17-19)32-16-15-31-20-8-2-1-3-9-20/h1-5,7-10,12-13,17,22H,6,11,14-16,18H2,(H,28,29)/t22-/m0/s1
InChIKeyBCLVNXJYFOHIIK-QFIPXVFZSA-N
MW467.95 g/mol
LogP5.61
Rot. Bonds10

About N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide

N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide (PubChem CID 42427203) has the molecular formula C26H26ClNO5 and a molecular weight of 467.95 g/mol. Its IUPAC name is N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
PubChem CID42427203
Molecular FormulaC26H26ClNO5
Molecular Weight467.95 g/mol
Exact Mass467.15
IUPAC NameN-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cccc(Cl)c1OC[C@@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H26ClNO5/c27-23-12-5-13-24(25(23)33-18-22-11-6-14-30-22)28-26(29)19-7-4-10-21(17-19)32-16-15-31-20-8-2-1-3-9-20/h1-5,7-10,12-13,17,22H,6,11,14-16,18H2,(H,28,29)/t22-/m0/s1
InChIKeyBCLVNXJYFOHIIK-QFIPXVFZSA-N
XLogP5.61
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044692
3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004359

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide (CID 42427203) is N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide is O=C(Nc1cccc(Cl)c1OC[C@@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide?
The InChIKey is BCLVNXJYFOHIIK-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H26ClNO5/c27-23-12-5-13-24(25(23)33-18-22-11-6-14-30-22)28-26(29)19-7-4-10-21(17-19)32-16-15-31-20-8-2-1-3-9-20/h1-5,7-10,12-13,17,22H,6,11,14-16,18H2,(H,28,29)/t22-/m0/s1.
What are the key properties of N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide?
N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide has a molecular weight of 467.95 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 42427203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).