4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide

C21H21ClN2O3 — CID 100749425

IUPAC4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N
InChIInChI=1S/C21H21ClN2O3/c1-2-27-19-8-7-16(13-15(19)14-23)24-20(25)21(9-11-26-12-10-21)17-5-3-4-6-18(17)22/h3-8,13H,2,9-12H2,1H3,(H,24,25)
InChIKeyNZCIUYYBMWTXPB-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.30
Rot. Bonds5

About 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide

4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide (PubChem CID 100749425) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide
PubChem CID100749425
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N
InChIInChI=1S/C21H21ClN2O3/c1-2-27-19-8-7-16(13-15(19)14-23)24-20(25)21(9-11-26-12-10-21)17-5-3-4-6-18(17)22/h3-8,13H,2,9-12H2,1H3,(H,24,25)
InChIKeyNZCIUYYBMWTXPB-UHFFFAOYSA-N
XLogP4.30
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)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

1-(2-chlorophenyl)-N-[3-cyano-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100747004
4-(2-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
CID 100749467
N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743841
N-[3-(butanoylamino)phenyl]-4-(2-chlorophenyl)oxane-4-carboxamide
CID 86897484
N-(4-butoxy-3-cyanophenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748445
N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100720957
methyl 2-ethoxy-5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748818
5-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119255383
4-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119240489
4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
CID 100686130
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100744658
4-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxane-4-carboxamide
CID 86897366

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide (CID 100749425) is 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide is CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N.
What is the InChIKey of 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide?
The InChIKey is NZCIUYYBMWTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-2-27-19-8-7-16(13-15(19)14-23)24-20(25)21(9-11-26-12-10-21)17-5-3-4-6-18(17)22/h3-8,13H,2,9-12H2,1H3,(H,24,25).
What are the key properties of 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide?
4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide has a molecular weight of 384.86 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100749425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).