N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide

C26H24ClFN2O3 — CID 52737912

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H24ClFN2O3/c27-21-5-2-4-20(16-21)26(11-13-33-14-12-26)17-29-24(31)19-3-1-6-23(15-19)30-25(32)18-7-9-22(28)10-8-18/h1-10,15-16H,11-14,17H2,(H,29,31)(H,30,32)
InChIKeyNORAGUYCGZWESM-UHFFFAOYSA-N
MW466.94 g/mol
LogP5.21
Rot. Bonds6

About N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 52737912) has the molecular formula C26H24ClFN2O3 and a molecular weight of 466.94 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
PubChem CID52737912
Molecular FormulaC26H24ClFN2O3
Molecular Weight466.94 g/mol
Exact Mass466.15
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H24ClFN2O3/c27-21-5-2-4-20(16-21)26(11-13-33-14-12-26)17-29-24(31)19-3-1-6-23(15-19)30-25(32)18-7-9-22(28)10-8-18/h1-10,15-16H,11-14,17H2,(H,29,31)(H,30,32)
InChIKeyNORAGUYCGZWESM-UHFFFAOYSA-N
XLogP5.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
CID 110439910
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
CID 55865048
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide
CID 60524682
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
1-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111233287
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948249
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide (CID 52737912) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide is O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is NORAGUYCGZWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O3/c27-21-5-2-4-20(16-21)26(11-13-33-14-12-26)17-29-24(31)19-3-1-6-23(15-19)30-25(32)18-7-9-22(28)10-8-18/h1-10,15-16H,11-14,17H2,(H,29,31)(H,30,32).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 466.94 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 52737912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).