N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide

C22H25ClN2O4 — CID 17222418

IUPACN-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C22H25ClN2O4/c1-2-4-21(26)24-16-8-11-19(23)20(13-16)25-22(27)15-6-9-17(10-7-15)29-14-18-5-3-12-28-18/h6-11,13,18H,2-5,12,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNCZWEIRAKNCBTM-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.89
Rot. Bonds8

About N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 17222418) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID17222418
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C22H25ClN2O4/c1-2-4-21(26)24-16-8-11-19(23)20(13-16)25-22(27)15-6-9-17(10-7-15)29-14-18-5-3-12-28-18/h6-11,13,18H,2-5,12,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyNCZWEIRAKNCBTM-UHFFFAOYSA-N
XLogP4.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54821559
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54829442
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 51193239
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 41152372
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 26057843
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 17222418) is N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is NCZWEIRAKNCBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-2-4-21(26)24-16-8-11-19(23)20(13-16)25-22(27)15-6-9-17(10-7-15)29-14-18-5-3-12-28-18/h6-11,13,18H,2-5,12,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 416.91 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 17222418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).