N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide

C22H17BrFN3O2 — CID 58989947

IUPACN-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide
SMILESN#Cc1cc(CNc2ccccc2C(=O)NOCc2ccccc2Br)ccc1F
InChIInChI=1S/C22H17BrFN3O2/c23-19-7-3-1-5-16(19)14-29-27-22(28)18-6-2-4-8-21(18)26-13-15-9-10-20(24)17(11-15)12-25/h1-11,26H,13-14H2,(H,27,28)
InChIKeyUVISEKYWYPYOAZ-UHFFFAOYSA-N
MW454.30 g/mol
LogP4.93
Rot. Bonds7

About N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide

N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide (PubChem CID 58989947) has the molecular formula C22H17BrFN3O2 and a molecular weight of 454.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide
PubChem CID58989947
Molecular FormulaC22H17BrFN3O2
Molecular Weight454.30 g/mol
Exact Mass453.05
IUPAC NameN-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide
SMILESN#Cc1cc(CNc2ccccc2C(=O)NOCc2ccccc2Br)ccc1F
InChIInChI=1S/C22H17BrFN3O2/c23-19-7-3-1-5-16(19)14-29-27-22(28)18-6-2-4-8-21(18)26-13-15-9-10-20(24)17(11-15)12-25/h1-11,26H,13-14H2,(H,27,28)
InChIKeyUVISEKYWYPYOAZ-UHFFFAOYSA-N
XLogP4.93
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.30
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2-bromoanilino)methyl]-2-fluorobenzonitrile
CID 103756645
methyl 2-fluoro-5-[[2-[(4-fluorophenyl)methoxycarbamoyl]anilino]methyl]benzoate
CID 58990052
methyl 2-fluoro-5-[[2-(phenylmethoxycarbamoyl)anilino]methyl]benzoate
CID 58989778
5-[(5-bromo-2,4-difluoroanilino)methyl]-2-fluorobenzonitrile
CID 102847184
2-[[4-fluoro-3-[1-(4-hydroxybutylamino)ethenyl]phenyl]methylamino]-N-phenylmethoxybenzamide
CID 88918265
N-[(4-cyanophenyl)methoxy]-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
CID 58989898
2-fluoro-5-[[2-(1-hydroxyethyl)anilino]methyl]benzonitrile
CID 107936215
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
methyl 5-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-fluorobenzoate
CID 58989927
4-[(2-cyanoanilino)methyl]-2-fluorobenzoic acid
CID 106699568
methyl 4-[(2-bromoanilino)methyl]-2-fluorobenzoate
CID 106699571
2-[(3-cyano-4-fluorophenyl)methylamino]-6-methylbenzonitrile
CID 107880704

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide?
The IUPAC name of N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide (CID 58989947) is N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide.
What is the SMILES notation for N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide?
The canonical SMILES for N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide is N#Cc1cc(CNc2ccccc2C(=O)NOCc2ccccc2Br)ccc1F.
What is the InChIKey of N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide?
The InChIKey is UVISEKYWYPYOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O2/c23-19-7-3-1-5-16(19)14-29-27-22(28)18-6-2-4-8-21(18)26-13-15-9-10-20(24)17(11-15)12-25/h1-11,26H,13-14H2,(H,27,28).
What are the key properties of N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide?
N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide has a molecular weight of 454.30 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methoxy]-2-[(3-cyano-4-fluorophenyl)methylamino]benzamide is sourced from PubChem (CID 58989947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).