4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide

C33H26ClFN2O3 — CID 154811127

IUPAC4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N(Cc1ccc(OCc2ccccc2F)cc1)c1ccccn1
InChIInChI=1S/C33H26ClFN2O3/c34-28-14-8-25(9-15-28)22-39-30-18-12-26(13-19-30)33(38)37(32-7-3-4-20-36-32)21-24-10-16-29(17-11-24)40-23-27-5-1-2-6-31(27)35/h1-20H,21-23H2
InChIKeyOBYCJRKFHXFYJA-UHFFFAOYSA-N
MW553.03 g/mol
LogP7.88
Rot. Bonds10

About 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide

4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide (PubChem CID 154811127) has the molecular formula C33H26ClFN2O3 and a molecular weight of 553.03 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
PubChem CID154811127
Molecular FormulaC33H26ClFN2O3
Molecular Weight553.03 g/mol
Exact Mass552.16
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N(Cc1ccc(OCc2ccccc2F)cc1)c1ccccn1
InChIInChI=1S/C33H26ClFN2O3/c34-28-14-8-25(9-15-28)22-39-30-18-12-26(13-19-30)33(38)37(32-7-3-4-20-36-32)21-24-10-16-29(17-11-24)40-23-27-5-1-2-6-31(27)35/h1-20H,21-23H2
InChIKeyOBYCJRKFHXFYJA-UHFFFAOYSA-N
XLogP7.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.03
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
4-chloro-N-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35577356
N-[(4-phenylmethoxyphenyl)methyl]-N-pyridin-2-ylfuran-2-carboxamide
CID 35574865
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylpropanamide
CID 35672557
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
CID 35573441
2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid
CID 110165619
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
CID 127028520
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide (CID 154811127) is 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide is O=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N(Cc1ccc(OCc2ccccc2F)cc1)c1ccccn1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is OBYCJRKFHXFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26ClFN2O3/c34-28-14-8-25(9-15-28)22-39-30-18-12-26(13-19-30)33(38)37(32-7-3-4-20-36-32)21-24-10-16-29(17-11-24)40-23-27-5-1-2-6-31(27)35/h1-20H,21-23H2.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide?
4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 553.03 g/mol, XLogP of 7.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 154811127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).