4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

C18H18ClNO3 — CID 17170162

IUPAC4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c19-14-9-7-13(8-10-14)18(21)20-16-5-1-2-6-17(16)23-12-15-4-3-11-22-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21)
InChIKeyBRWCNGSHEYJIFU-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.15
Rot. Bonds5

About 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 17170162) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID17170162
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c19-14-9-7-13(8-10-14)18(21)20-16-5-1-2-6-17(16)23-12-15-4-3-11-22-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21)
InChIKeyBRWCNGSHEYJIFU-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 41386334
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131932451
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131903658
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
CID 94645848
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 17170162) is 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is O=C(Nc1ccccc1OCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is BRWCNGSHEYJIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-14-9-7-13(8-10-14)18(21)20-16-5-1-2-6-17(16)23-12-15-4-3-11-22-15/h1-2,5-10,15H,3-4,11-12H2,(H,20,21).
What are the key properties of 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 17170162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).