N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

C19H21ClN2O3 — CID 54829242

IUPACN-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCC2CCCO2)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c20-14-6-8-15(9-7-14)22-19(23)12-21-16-3-1-4-17(11-16)25-13-18-5-2-10-24-18/h1,3-4,6-9,11,18,21H,2,5,10,12-13H2,(H,22,23)
InChIKeyNLBQKTXJGZNNKM-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.95
Rot. Bonds7

About N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54829242) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54829242
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCC2CCCO2)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c20-14-6-8-15(9-7-14)22-19(23)12-21-16-3-1-4-17(11-16)25-13-18-5-2-10-24-18/h1,3-4,6-9,11,18,21H,2,5,10,12-13H2,(H,22,23)
InChIKeyNLBQKTXJGZNNKM-UHFFFAOYSA-N
XLogP3.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828719
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54829242) is N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is O=C(CNc1cccc(OCC2CCCO2)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is NLBQKTXJGZNNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-14-6-8-15(9-7-14)22-19(23)12-21-16-3-1-4-17(11-16)25-13-18-5-2-10-24-18/h1,3-4,6-9,11,18,21H,2,5,10,12-13H2,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54829242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).