N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide

C22H18BrFN2O3 — CID 4174378

IUPACN-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccccc2F)c1OCc1ccc(Br)cc1
InChIInChI=1S/C22H18BrFN2O3/c1-28-20-8-4-5-16(21(20)29-14-15-9-11-17(23)12-10-15)13-25-26-22(27)18-6-2-3-7-19(18)24/h2-13H,14H2,1H3,(H,26,27)
InChIKeyLBPJFIXFUVDZOO-UHFFFAOYSA-N
MW457.30 g/mol
LogP4.94
Rot. Bonds7

About N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide

N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide (PubChem CID 4174378) has the molecular formula C22H18BrFN2O3 and a molecular weight of 457.30 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
PubChem CID4174378
Molecular FormulaC22H18BrFN2O3
Molecular Weight457.30 g/mol
Exact Mass456.05
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccccc2F)c1OCc1ccc(Br)cc1
InChIInChI=1S/C22H18BrFN2O3/c1-28-20-8-4-5-16(21(20)29-14-15-9-11-17(23)12-10-15)13-25-26-22(27)18-6-2-3-7-19(18)24/h2-13H,14H2,1H3,(H,26,27)
InChIKeyLBPJFIXFUVDZOO-UHFFFAOYSA-N
XLogP4.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110339182
4-bromo-N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126082904
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
2-amino-N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340321
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
4-amino-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110514932
1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523261
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide (CID 4174378) is N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide is COc1cccc(C=NNC(=O)c2ccccc2F)c1OCc1ccc(Br)cc1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide?
The InChIKey is LBPJFIXFUVDZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN2O3/c1-28-20-8-4-5-16(21(20)29-14-15-9-11-17(23)12-10-15)13-25-26-22(27)18-6-2-3-7-19(18)24/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide?
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide has a molecular weight of 457.30 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 4174378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).