N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide

C26H26ClNO2 — CID 19118860

IUPACN-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C26H26ClNO2/c27-23-15-13-20(14-16-23)18-28(19-24-12-7-17-30-24)26(29)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-25H,7,12,17-19H2
InChIKeyDRADEJJUGMBZLK-UHFFFAOYSA-N
MW419.95 g/mol
LogP5.68
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide

N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide (PubChem CID 19118860) has the molecular formula C26H26ClNO2 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
PubChem CID19118860
Molecular FormulaC26H26ClNO2
Molecular Weight419.95 g/mol
Exact Mass419.17
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C26H26ClNO2/c27-23-15-13-20(14-16-23)18-28(19-24-12-7-17-30-24)26(29)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-25H,7,12,17-19H2
InChIKeyDRADEJJUGMBZLK-UHFFFAOYSA-N
XLogP5.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42387343
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide (CID 19118860) is N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide is O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(Cl)cc1)CC1CCCO1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide?
The InChIKey is DRADEJJUGMBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO2/c27-23-15-13-20(14-16-23)18-28(19-24-12-7-17-30-24)26(29)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-25H,7,12,17-19H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide?
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide has a molecular weight of 419.95 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 19118860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).