N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide

C26H26ClNO2 — CID 60575805

IUPACN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26ClNO2/c27-23-13-11-22(12-14-23)26(15-17-30-18-16-26)19-28-25(29)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,28,29)
InChIKeyQAWMJQNGCNLWTC-UHFFFAOYSA-N
MW419.95 g/mol
LogP5.34
Rot. Bonds6

About N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide (PubChem CID 60575805) has the molecular formula C26H26ClNO2 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
PubChem CID60575805
Molecular FormulaC26H26ClNO2
Molecular Weight419.95 g/mol
Exact Mass419.17
IUPAC NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26ClNO2/c27-23-13-11-22(12-14-23)26(15-17-30-18-16-26)19-28-25(29)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,28,29)
InChIKeyQAWMJQNGCNLWTC-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide 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

(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 27449167
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide
CID 47487314
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide (CID 60575805) is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide is O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide?
The InChIKey is QAWMJQNGCNLWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO2/c27-23-13-11-22(12-14-23)26(15-17-30-18-16-26)19-28-25(29)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,28,29).
What are the key properties of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide?
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide has a molecular weight of 419.95 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 60575805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).