N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide

C26H26FNO2 — CID 44571386

IUPACN-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C26H26FNO2/c1-19-16-23(27)13-14-25(19)21-9-11-22(12-10-21)26(29)28(18-24-8-5-15-30-24)17-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,24H,5,8,15,17-18H2,1H3
InChIKeyNYRFRZQRJIRSDI-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.62
Rot. Bonds6

About N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide

N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 44571386) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID44571386
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC NameN-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C26H26FNO2/c1-19-16-23(27)13-14-25(19)21-9-11-22(12-10-21)26(29)28(18-24-8-5-15-30-24)17-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,24H,5,8,15,17-18H2,1H3
InChIKeyNYRFRZQRJIRSDI-UHFFFAOYSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide 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-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
N-(Tetrahydro-2-furanylmethyl)-1-naphthamide
CID 2932372
2-(2-Oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305330
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 44480181
4-[2-(2-Phenylethyl)benzoyl]morpholine
CID 1255389
N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619
N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44571388
N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571488
N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571491
N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44572048
N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44572107
4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]-N,2-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 137659343

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide (CID 44571386) is N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1.
What is the InChIKey of N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is NYRFRZQRJIRSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO2/c1-19-16-23(27)13-14-25(19)21-9-11-22(12-10-21)26(29)28(18-24-8-5-15-30-24)17-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,24H,5,8,15,17-18H2,1H3.
What are the key properties of N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 44571386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).