4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide

C22H23ClN2O3 — CID 100749467

IUPAC4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1
InChIInChI=1S/C22H23ClN2O3/c1-2-11-28-17-7-8-20(16(14-17)15-24)25-21(26)22(9-12-27-13-10-22)18-5-3-4-6-19(18)23/h3-8,14H,2,9-13H2,1H3,(H,25,26)
InChIKeyRMBPGHFWOMYSRV-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.69
Rot. Bonds6

About 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide

4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide (PubChem CID 100749467) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
PubChem CID100749467
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1
InChIInChI=1S/C22H23ClN2O3/c1-2-11-28-17-7-8-20(16(14-17)15-24)25-21(26)22(9-12-27-13-10-22)18-5-3-4-6-19(18)23/h3-8,14H,2,9-13H2,1H3,(H,25,26)
InChIKeyRMBPGHFWOMYSRV-UHFFFAOYSA-N
XLogP4.69
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyano-4-propoxyphenyl)-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 100749973
4-(4-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
CID 100749727
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide
CID 100749425
N-(2-cyano-4-propoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100747593
N-[2-cyano-4-(2-methylpropoxy)phenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743914
N-(2-cyano-4-ethoxyphenyl)-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100748199
N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 100746676
N-(2-cyano-4-methoxyphenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748457
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100746032

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide (CID 100749467) is 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide?
The InChIKey is RMBPGHFWOMYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-2-11-28-17-7-8-20(16(14-17)15-24)25-21(26)22(9-12-27-13-10-22)18-5-3-4-6-19(18)23/h3-8,14H,2,9-13H2,1H3,(H,25,26).
What are the key properties of 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide?
4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100749467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).