2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide

C27H21F2NO3 — CID 141216434

IUPAC2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(OCc2cccc(F)c2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C27H21F2NO3/c28-21-8-4-6-19(14-21)17-32-24-12-13-26(33-18-20-7-5-9-22(29)15-20)25(16-24)27(31)30-23-10-2-1-3-11-23/h1-16H,17-18H2,(H,30,31)
InChIKeyQNJXMYZGPZSDFL-UHFFFAOYSA-N
MW445.47 g/mol
LogP6.38
Rot. Bonds8

About 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide

2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide (PubChem CID 141216434) has the molecular formula C27H21F2NO3 and a molecular weight of 445.47 g/mol. Its IUPAC name is 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
PubChem CID141216434
Molecular FormulaC27H21F2NO3
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC Name2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(OCc2cccc(F)c2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C27H21F2NO3/c28-21-8-4-6-19(14-21)17-32-24-12-13-26(33-18-20-7-5-9-22(29)15-20)25(16-24)27(31)30-23-10-2-1-3-11-23/h1-16H,17-18H2,(H,30,31)
InChIKeyQNJXMYZGPZSDFL-UHFFFAOYSA-N
XLogP6.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
CID 141216527
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide
CID 141216459
5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide
CID 141273565
6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 71556639
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
CID 72704750
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide?
The IUPAC name of 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide (CID 141216434) is 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide.
What is the SMILES notation for 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide?
The canonical SMILES for 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc(OCc2cccc(F)c2)ccc1OCc1cccc(F)c1.
What is the InChIKey of 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide?
The InChIKey is QNJXMYZGPZSDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2NO3/c28-21-8-4-6-19(14-21)17-32-24-12-13-26(33-18-20-7-5-9-22(29)15-20)25(16-24)27(31)30-23-10-2-1-3-11-23/h1-16H,17-18H2,(H,30,31).
What are the key properties of 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide?
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide has a molecular weight of 445.47 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide is sourced from PubChem (CID 141216434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).