N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide

C27H22FNO3 — CID 69250543

IUPACN-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H22FNO3/c28-22-12-7-13-23(16-22)29-27(30)25-15-14-24(31-18-20-8-3-1-4-9-20)17-26(25)32-19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,29,30)
InChIKeyHNDWXMHUHAXNRJ-UHFFFAOYSA-N
MW427.48 g/mol
LogP6.24
Rot. Bonds8

About N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide

N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide (PubChem CID 69250543) has the molecular formula C27H22FNO3 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
PubChem CID69250543
Molecular FormulaC27H22FNO3
Molecular Weight427.48 g/mol
Exact Mass427.16
IUPAC NameN-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H22FNO3/c28-22-12-7-13-23(16-22)29-27(30)25-15-14-24(31-18-20-8-3-1-4-9-20)17-26(25)32-19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,29,30)
InChIKeyHNDWXMHUHAXNRJ-UHFFFAOYSA-N
XLogP6.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
4-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
CID 11327512
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340
2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid
CID 127053810
2-bromo-N-(3-ethynylphenyl)-4-phenylmethoxybenzamide
CID 174760803

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide?
The IUPAC name of N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide (CID 69250543) is N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide is O=C(Nc1cccc(F)c1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide?
The InChIKey is HNDWXMHUHAXNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO3/c28-22-12-7-13-23(16-22)29-27(30)25-15-14-24(31-18-20-8-3-1-4-9-20)17-26(25)32-19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,29,30).
What are the key properties of N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide?
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide has a molecular weight of 427.48 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 69250543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).